 Entering Gaussian System, Link 0=g16
 Input=08_d-glucose_conformer001_STD_M11_def2SVPD.in
 Output=08_d-glucose_conformer001_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-43161.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     43162.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=08_d-glucose_conformer001_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:28:47 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "08_d-glucose_conformer001_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.639995000000      1.210425000000     -0.197110000000
  C                                                -1.660478000000      0.161160000000      0.197504000000
  C                                                 0.736747000000      0.795510000000      0.286144000000
  C                                                 1.079369000000     -0.604203000000     -0.228054000000
  O                                                 0.067145000000     -1.517619000000      0.198419000000
  C                                                -1.216562000000     -1.213556000000     -0.304644000000
  O                                                -0.922508000000      2.483202000000      0.369953000000
  H                                                -0.621099000000      1.285662000000     -1.292336000000
  O                                                -2.907145000000      0.541846000000     -0.359981000000
  H                                                -1.721531000000      0.118750000000      1.294206000000
  H                                                 0.727111000000      0.765851000000      1.383318000000
  O                                                 1.732438000000      1.706543000000     -0.165282000000
  C                                                 2.410891000000     -1.123511000000      0.302675000000
  H                                                 1.126892000000     -0.582940000000     -1.324712000000
  O                                                -2.103572000000     -2.214928000000      0.095778000000
  H                                                -1.218810000000     -1.228110000000     -1.401446000000
  H                                                -1.811275000000      2.739925000000      0.096905000000
  H                                                -3.533704000000     -0.176051000000     -0.206287000000
  H                                                 1.430942000000      2.597378000000      0.052923000000
  O                                                 3.515463000000     -0.471377000000     -0.290315000000
  H                                                 2.491301000000     -2.182395000000      0.056578000000
  H                                                 2.421925000000     -1.030336000000      1.397090000000
  H                                                -1.970048000000     -2.365618000000      1.041455000000
  H                                                 3.363901000000      0.481596000000     -0.225378000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 NAtoms=     24 NQM=       24 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          16           1          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  15.9949146   1.0078250  15.9949146   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   5.6000000   1.0000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   8.0000000   1.0000000   8.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          16          12           1          16           1           1           1           1          16
 AtmWgt=   1.0078250  15.9949146  12.0000000   1.0078250  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146
 NucSpn=           1           0           0           1           0           1           1           1           1           0
 AtZEff=   1.0000000   5.6000000   3.6000000   1.0000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   8.0000000   6.0000000   1.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000

  Atom        21          22          23          24
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 21:28:47 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.639995    1.210425   -0.197110
      2          6           0       -1.660478    0.161160    0.197504
      3          6           0        0.736747    0.795510    0.286144
      4          6           0        1.079369   -0.604203   -0.228054
      5          8           0        0.067145   -1.517619    0.198419
      6          6           0       -1.216562   -1.213556   -0.304644
      7          8           0       -0.922508    2.483202    0.369953
      8          1           0       -0.621099    1.285662   -1.292336
      9          8           0       -2.907145    0.541846   -0.359981
     10          1           0       -1.721531    0.118750    1.294206
     11          1           0        0.727111    0.765851    1.383318
     12          8           0        1.732438    1.706543   -0.165282
     13          6           0        2.410891   -1.123511    0.302675
     14          1           0        1.126892   -0.582940   -1.324712
     15          8           0       -2.103572   -2.214928    0.095778
     16          1           0       -1.218810   -1.228110   -1.401446
     17          1           0       -1.811275    2.739925    0.096905
     18          1           0       -3.533704   -0.176051   -0.206287
     19          1           0        1.430942    2.597378    0.052923
     20          8           0        3.515463   -0.471377   -0.290315
     21          1           0        2.491301   -2.182395    0.056578
     22          1           0        2.421925   -1.030336    1.397090
     23          1           0       -1.970048   -2.365618    1.041455
     24          1           0        3.363901    0.481596   -0.225378
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.515936   0.000000
     3  C    1.516940   2.481319   0.000000
     4  C    2.500009   2.876394   1.530028   0.000000
     5  O    2.845824   2.408938   2.409695   1.428568   0.000000
     6  C    2.493928   1.529398   2.863703   2.376652   1.411889
     7  O    1.421737   2.442584   2.368218   3.727894   4.124973
     8  H    1.097970   2.136454   2.139064   2.756062   3.248756
     9  O    2.369281   1.417706   3.709417   4.150076   3.660547
    10  H    2.141378   1.099219   2.741774   3.268788   2.660416
    11  H    2.136440   2.733567   1.097617   2.144214   2.655895
    12  O    2.423960   3.745891   1.423084   2.402080   3.647012
    13  C    3.873622   4.270537   2.546698   1.524567   2.378936
    14  H    2.758538   3.261941   2.155735   1.097893   2.077647
    15  O    3.736427   2.419189   4.143234   3.581957   2.282277
    16  H    2.780630   2.163743   3.281341   2.654757   2.072936
    17  H    1.948772   2.585128   3.210760   4.432224   4.654616
    18  H    3.208731   1.945696   4.407173   4.632951   3.863898
    19  H    2.504982   3.938647   1.945001   3.233059   4.337547
    20  O    4.483857   5.237216   3.107824   2.440507   3.636534
    21  H    4.623916   4.769631   3.463969   2.136646   2.517653
    22  H    4.115560   4.418674   2.721716   2.150614   2.686865
    23  H    4.011380   2.681920   4.229653   3.743418   2.362195
    24  H    4.069788   5.052316   2.694835   2.529437   3.878797
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.769293   0.000000
     8  H    2.752490   2.070786   0.000000
     9  O    2.437739   2.870619   2.578479   0.000000
    10  H    2.141578   2.661450   3.043490   2.078708   0.000000
    11  H    3.247327   2.587942   3.040888   4.036965   2.534271
    12  O    4.152469   2.817519   2.643204   4.787500   4.071989
    13  C    3.679043   4.911665   4.188214   5.611955   4.427557
    14  H    2.632488   4.058714   2.558944   4.297593   3.932507
    15  O    1.396378   4.852062   4.047063   2.907447   2.651082
    16  H    1.096901   4.123043   2.586158   2.658546   3.055045
    17  H    4.018076   0.964556   2.336962   2.498245   2.883079
    18  H    2.540716   3.771210   3.435022   0.965181   2.371151
    19  H    4.654068   2.377451   2.782300   4.818164   4.197912
    20  O    4.789895   5.372251   4.604604   6.502412   5.503187
    21  H    3.849335   5.789654   4.851188   6.061207   4.957312
    22  H    4.020952   4.958346   4.675131   5.827353   4.301071
    23  H    1.925349   5.005928   4.538512   3.360881   2.509527
    24  H    4.884717   4.768034   4.202993   6.272780   5.320001
                   11         12         13         14         15
    11  H    0.000000
    12  O    2.072136   0.000000
    13  C    2.751835   2.947624   0.000000
    14  H    3.051637   2.636797   2.142256   0.000000
    15  O    4.307618   5.491909   4.649126   3.888068   0.000000
    16  H    3.939213   4.341676   4.011197   2.434019   1.999573
    17  H    3.463413   3.700611   5.726706   4.657816   4.963467
    18  H    4.644197   5.592682   6.041104   4.810155   2.508693
    19  H    2.370616   0.965453   3.855865   3.479188   5.971006
    20  O    3.479467   2.817472   1.413151   2.605320   5.895981
    21  H    3.683037   3.968493   1.090076   2.515518   4.595155
    22  H    2.469589   3.225974   1.098430   3.047209   4.855594
    23  H    4.147003   5.634458   4.613161   4.285758   0.966872
    24  H    3.101833   2.041024   1.939958   2.710347   6.104723
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.282683   0.000000
    18  H    2.809621   3.400236   0.000000
    19  H    4.875524   3.245647   5.692698   0.000000
    20  O    4.921443   6.231897   7.055851   3.725627   0.000000
    21  H    4.098953   6.537815   6.355722   4.895978   2.024062
    22  H    4.596289   5.815955   6.226567   3.993638   2.087007
    23  H    2.797508   5.194608   2.965819   6.097152   5.954208
    24  H    5.030653   5.655649   6.928912   2.879291   0.967133
                   21         22         23         24
    21  H    0.000000
    22  H    1.768905   0.000000
    23  H    4.572438   4.604224   0.000000
    24  H    2.817406   2.409494   6.177581   0.000000
 Stoichiometry    C6H12O6
 Framework group  C1[X(C6H12O6)]
 Deg. of freedom    66
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.03D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.639995    1.210425   -0.197110
      2          6           0       -1.660478    0.161160    0.197504
      3          6           0        0.736747    0.795510    0.286144
      4          6           0        1.079369   -0.604203   -0.228054
      5          8           0        0.067145   -1.517619    0.198419
      6          6           0       -1.216562   -1.213556   -0.304644
      7          8           0       -0.922509    2.483202    0.369953
      8          1           0       -0.621099    1.285662   -1.292336
      9          8           0       -2.907145    0.541845   -0.359981
     10          1           0       -1.721531    0.118750    1.294206
     11          1           0        0.727111    0.765851    1.383318
     12          8           0        1.732438    1.706543   -0.165282
     13          6           0        2.410891   -1.123510    0.302675
     14          1           0        1.126892   -0.582940   -1.324712
     15          8           0       -2.103572   -2.214928    0.095778
     16          1           0       -1.218810   -1.228110   -1.401446
     17          1           0       -1.811276    2.739925    0.096905
     18          1           0       -3.533704   -0.176052   -0.206287
     19          1           0        1.430941    2.597378    0.052923
     20          8           0        3.515463   -0.471376   -0.290315
     21          1           0        2.491301   -2.182394    0.056578
     22          1           0        2.421925   -1.030335    1.397090
     23          1           0       -1.970048   -2.365618    1.041455
     24          1           0        3.363901    0.481597   -0.225378
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3109432           0.7353740           0.4929629
 Leave Link  202 at Thu Aug 12 21:28:48 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     16     17     18     19     21     22
 Centers:      23     24
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6     13
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      7      9     12     15     20
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   378 symmetry adapted cartesian basis functions of A   symmetry.
 There are   354 symmetry adapted basis functions of A   symmetry.
   354 basis functions,   522 primitive gaussians,   378 cartesian basis functions
    48 alpha electrons       48 beta electrons
       nuclear repulsion energy       827.8206295350 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   24 NActive=   24 NUniq=   24 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:28:49 2021, MaxMem=  5368709120 cpu:               6.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   354 RedAO= T EigKep=  2.65D-05  NBF=   354
 NBsUse=   354 1.00D-06 EigRej= -1.00D+00 NBFU=   354
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   377   377   377   377   377 MxSgAt=    24 MxSgA2=    24.
 Leave Link  302 at Thu Aug 12 21:28:50 2021, MaxMem=  5368709120 cpu:               4.5 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:28:50 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "08_d-glucose_conformer001_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:28:51 2021, MaxMem=  5368709120 cpu:               4.4 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368416640 LenY=  5368273315
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -686.393602652063    
 DIIS: error= 4.50D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -686.393602652063     IErMin= 1 ErrMin= 4.50D-03
 ErrMax= 4.50D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.41D-02 BMatP= 3.41D-02
 IDIUse=3 WtCom= 9.55D-01 WtEn= 4.50D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.469 Goal=   None    Shift=    0.000
 GapD=    0.469 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=6.09D-03 MaxDP=3.34D-01              OVMax= 2.10D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.08D-03    CP:  1.01D+00
 E= -686.426453564017     Delta-E=       -0.032850911954 Rises=F Damp=F
 DIIS: error= 1.35D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -686.426453564017     IErMin= 2 ErrMin= 1.35D-03
 ErrMax= 1.35D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.68D-03 BMatP= 3.41D-02
 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.35D-02
 Coeff-Com:  0.534D-01 0.947D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.527D-01 0.947D+00
 Gap=     0.421 Goal=   None    Shift=    0.000
 RMSDP=1.29D-03 MaxDP=6.88D-02 DE=-3.29D-02 OVMax= 9.58D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.02D-04    CP:  1.01D+00  1.15D+00
 E= -686.428068698708     Delta-E=       -0.001615134691 Rises=F Damp=F
 DIIS: error= 1.20D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -686.428068698708     IErMin= 3 ErrMin= 1.20D-03
 ErrMax= 1.20D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.05D-03 BMatP= 2.68D-03
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.20D-02
 Coeff-Com: -0.680D-01 0.471D+00 0.597D+00
 Coeff-En:   0.000D+00 0.170D+00 0.830D+00
 Coeff:     -0.672D-01 0.467D+00 0.600D+00
 Gap=     0.415 Goal=   None    Shift=    0.000
 RMSDP=3.02D-04 MaxDP=2.30D-02 DE=-1.62D-03 OVMax= 3.98D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.03D-04    CP:  1.01D+00  1.19D+00  1.05D+00
 E= -686.429443983851     Delta-E=       -0.001375285142 Rises=F Damp=F
 DIIS: error= 1.19D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -686.429443983851     IErMin= 4 ErrMin= 1.19D-04
 ErrMax= 1.19D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.11D-05 BMatP= 2.05D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.19D-03
 Coeff-Com: -0.138D-01 0.271D-01 0.920D-01 0.895D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.137D-01 0.271D-01 0.919D-01 0.895D+00
 Gap=     0.414 Goal=   None    Shift=    0.000
 RMSDP=1.05D-04 MaxDP=5.02D-03 DE=-1.38D-03 OVMax= 1.27D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.89D-05    CP:  1.01D+00  1.19D+00  1.12D+00  1.05D+00
 E= -686.429486361813     Delta-E=       -0.000042377962 Rises=F Damp=F
 DIIS: error= 6.61D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -686.429486361813     IErMin= 5 ErrMin= 6.61D-05
 ErrMax= 6.61D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.18D-06 BMatP= 3.11D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.623D-02-0.614D-01-0.679D-01 0.297D+00 0.826D+00
 Coeff:      0.623D-02-0.614D-01-0.679D-01 0.297D+00 0.826D+00
 Gap=     0.414 Goal=   None    Shift=    0.000
 RMSDP=3.78D-05 MaxDP=1.25D-03 DE=-4.24D-05 OVMax= 5.93D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.88D-05    CP:  1.01D+00  1.19D+00  1.14D+00  1.09D+00  1.03D+00
 E= -686.429495995670     Delta-E=       -0.000009633857 Rises=F Damp=F
 DIIS: error= 1.06D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -686.429495995670     IErMin= 6 ErrMin= 1.06D-05
 ErrMax= 1.06D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.94D-07 BMatP= 7.18D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.104D-02-0.559D-02-0.963D-02-0.199D-01 0.552D-01 0.979D+00
 Coeff:      0.104D-02-0.559D-02-0.963D-02-0.199D-01 0.552D-01 0.979D+00
 Gap=     0.414 Goal=   None    Shift=    0.000
 RMSDP=8.61D-06 MaxDP=4.13D-04 DE=-9.63D-06 OVMax= 1.62D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.80D-06    CP:  1.01D+00  1.19D+00  1.14D+00  1.08D+00  1.08D+00
                    CP:  1.12D+00
 E= -686.429496370171     Delta-E=       -0.000000374501 Rises=F Damp=F
 DIIS: error= 7.23D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -686.429496370171     IErMin= 7 ErrMin= 7.23D-06
 ErrMax= 7.23D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.67D-08 BMatP= 1.94D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.247D-03 0.474D-02 0.377D-02-0.458D-01-0.745D-01 0.427D+00
 Coeff-Com:  0.685D+00
 Coeff:     -0.247D-03 0.474D-02 0.377D-02-0.458D-01-0.745D-01 0.427D+00
 Coeff:      0.685D+00
 Gap=     0.414 Goal=   None    Shift=    0.000
 RMSDP=2.91D-06 MaxDP=1.49D-04 DE=-3.75D-07 OVMax= 5.63D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.62D-06    CP:  1.01D+00  1.19D+00  1.14D+00  1.07D+00  1.09D+00
                    CP:  1.17D+00  1.08D+00
 E= -686.429496447795     Delta-E=       -0.000000077624 Rises=F Damp=F
 DIIS: error= 1.67D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -686.429496447795     IErMin= 8 ErrMin= 1.67D-06
 ErrMax= 1.67D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.31D-09 BMatP= 7.67D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.176D-03 0.187D-02 0.220D-02-0.106D-01-0.254D-01-0.316D-02
 Coeff-Com:  0.175D+00 0.860D+00
 Coeff:     -0.176D-03 0.187D-02 0.220D-02-0.106D-01-0.254D-01-0.316D-02
 Coeff:      0.175D+00 0.860D+00
 Gap=     0.414 Goal=   None    Shift=    0.000
 RMSDP=1.03D-06 MaxDP=2.78D-05 DE=-7.76D-08 OVMax= 1.94D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.96D-07    CP:  1.01D+00  1.19D+00  1.14D+00  1.07D+00  1.10D+00
                    CP:  1.19D+00  1.15D+00  1.15D+00
 E= -686.429496453442     Delta-E=       -0.000000005647 Rises=F Damp=F
 DIIS: error= 3.96D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -686.429496453442     IErMin= 9 ErrMin= 3.96D-07
 ErrMax= 3.96D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.13D-10 BMatP= 4.31D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.265D-04 0.126D-03 0.325D-03 0.710D-03-0.721D-03-0.371D-01
 Coeff-Com: -0.808D-02 0.253D+00 0.792D+00
 Coeff:     -0.265D-04 0.126D-03 0.325D-03 0.710D-03-0.721D-03-0.371D-01
 Coeff:     -0.808D-02 0.253D+00 0.792D+00
 Gap=     0.414 Goal=   None    Shift=    0.000
 RMSDP=3.23D-07 MaxDP=1.25D-05 DE=-5.65D-09 OVMax= 4.47D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.10D-07    CP:  1.01D+00  1.19D+00  1.14D+00  1.07D+00  1.10D+00
                    CP:  1.19D+00  1.17D+00  1.19D+00  1.06D+00
 E= -686.429496453946     Delta-E=       -0.000000000505 Rises=F Damp=F
 DIIS: error= 1.22D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -686.429496453946     IErMin=10 ErrMin= 1.22D-07
 ErrMax= 1.22D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.42D-11 BMatP= 4.13D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.779D-05-0.131D-03-0.106D-03 0.119D-02 0.214D-02-0.100D-01
 Coeff-Com: -0.181D-01-0.998D-02 0.212D+00 0.823D+00
 Coeff:      0.779D-05-0.131D-03-0.106D-03 0.119D-02 0.214D-02-0.100D-01
 Coeff:     -0.181D-01-0.998D-02 0.212D+00 0.823D+00
 Gap=     0.414 Goal=   None    Shift=    0.000
 RMSDP=1.06D-07 MaxDP=3.39D-06 DE=-5.05D-10 OVMax= 1.53D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.13D-08    CP:  1.01D+00  1.19D+00  1.14D+00  1.07D+00  1.10D+00
                    CP:  1.19D+00  1.17D+00  1.21D+00  1.13D+00  1.14D+00
 E= -686.429496454004     Delta-E=       -0.000000000058 Rises=F Damp=F
 DIIS: error= 5.14D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -686.429496454004     IErMin=11 ErrMin= 5.14D-08
 ErrMax= 5.14D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.69D-12 BMatP= 3.42D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.614D-05-0.685D-04-0.795D-04 0.437D-03 0.976D-03-0.880D-03
 Coeff-Com: -0.643D-02-0.255D-01 0.132D-01 0.309D+00 0.709D+00
 Coeff:      0.614D-05-0.685D-04-0.795D-04 0.437D-03 0.976D-03-0.880D-03
 Coeff:     -0.643D-02-0.255D-01 0.132D-01 0.309D+00 0.709D+00
 Gap=     0.414 Goal=   None    Shift=    0.000
 RMSDP=3.10D-08 MaxDP=9.35D-07 DE=-5.78D-11 OVMax= 4.80D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.85D-08    CP:  1.01D+00  1.19D+00  1.14D+00  1.07D+00  1.10D+00
                    CP:  1.19D+00  1.17D+00  1.21D+00  1.15D+00  1.21D+00
                    CP:  1.16D+00
 E= -686.429496453985     Delta-E=        0.000000000019 Rises=F Damp=F
 DIIS: error= 1.74D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -686.429496454004     IErMin=12 ErrMin= 1.74D-08
 ErrMax= 1.74D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.41D-13 BMatP= 5.69D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.525D-06 0.141D-05-0.702D-05-0.646D-04-0.686D-04 0.137D-02
 Coeff-Com:  0.120D-02-0.602D-02-0.332D-01-0.467D-01 0.248D+00 0.835D+00
 Coeff:      0.525D-06 0.141D-05-0.702D-05-0.646D-04-0.686D-04 0.137D-02
 Coeff:      0.120D-02-0.602D-02-0.332D-01-0.467D-01 0.248D+00 0.835D+00
 Gap=     0.414 Goal=   None    Shift=    0.000
 RMSDP=1.28D-08 MaxDP=4.70D-07 DE= 1.86D-11 OVMax= 2.24D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  7.42D-09    CP:  1.01D+00  1.19D+00  1.14D+00  1.07D+00  1.10D+00
                    CP:  1.19D+00  1.17D+00  1.21D+00  1.16D+00  1.24D+00
                    CP:  1.26D+00  1.16D+00
 E= -686.429496454012     Delta-E=       -0.000000000027 Rises=F Damp=F
 DIIS: error= 3.27D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -686.429496454012     IErMin=13 ErrMin= 3.27D-09
 ErrMax= 3.27D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.04D-14 BMatP= 7.41D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.274D-06 0.404D-05 0.413D-05-0.337D-04-0.679D-04 0.201D-03
 Coeff-Com:  0.557D-03 0.949D-03-0.460D-02-0.251D-01-0.166D-01 0.101D+00
 Coeff-Com:  0.943D+00
 Coeff:     -0.274D-06 0.404D-05 0.413D-05-0.337D-04-0.679D-04 0.201D-03
 Coeff:      0.557D-03 0.949D-03-0.460D-02-0.251D-01-0.166D-01 0.101D+00
 Coeff:      0.943D+00
 Gap=     0.414 Goal=   None    Shift=    0.000
 RMSDP=3.78D-09 MaxDP=2.53D-07 DE=-2.71D-11 OVMax= 5.65D-08

 SCF Done:  E(RM11) =  -686.429496454     A.U. after   13 cycles
            NFock= 13  Conv=0.38D-08     -V/T= 2.0106
 KE= 6.792309073652D+02 PE=-3.262455697971D+03 EE= 1.068974664617D+03
 Leave Link  502 at Thu Aug 12 21:34:19 2021, MaxMem=  5368709120 cpu:            2619.4 elap:             327.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   354
 NBasis=   354 NAE=    48 NBE=    48 NFC=     0 NFV=     0
 NROrb=    354 NOA=    48 NOB=    48 NVA=   306 NVB=   306

 **** Warning!!: The largest alpha MO coefficient is  0.43164117D+02

 Leave Link  801 at Thu Aug 12 21:34:20 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7293 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          24
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.45D-13 8.33D-09 XBig12= 1.00D+00 1.52D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.45D-13 8.33D-09 XBig12= 1.20D-01 4.58D-02.
     11 vectors produced by pass  2 Test12= 2.45D-13 8.33D-09 XBig12= 2.30D-02 1.55D-02.
     11 vectors produced by pass  3 Test12= 2.45D-13 8.33D-09 XBig12= 3.20D-03 6.25D-03.
     11 vectors produced by pass  4 Test12= 2.45D-13 8.33D-09 XBig12= 3.08D-04 2.54D-03.
     11 vectors produced by pass  5 Test12= 2.45D-13 8.33D-09 XBig12= 1.94D-05 5.83D-04.
     11 vectors produced by pass  6 Test12= 2.45D-13 8.33D-09 XBig12= 8.46D-07 1.03D-04.
     11 vectors produced by pass  7 Test12= 2.45D-13 8.33D-09 XBig12= 2.92D-08 1.44D-05.
     11 vectors produced by pass  8 Test12= 2.45D-13 8.33D-09 XBig12= 9.33D-10 2.20D-06.
     11 vectors produced by pass  9 Test12= 2.45D-13 8.33D-09 XBig12= 3.29D-11 4.01D-07.
      8 vectors produced by pass 10 Test12= 2.45D-13 8.33D-09 XBig12= 8.59D-13 7.99D-08.
      3 vectors produced by pass 11 Test12= 2.45D-13 8.33D-09 XBig12= 2.35D-14 1.72D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.42D-14
 Solved reduced A of dimension   121 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.110382D+03
      2  0.845655D+00  0.994313D+02
      3 -0.232123D+00 -0.149274D+01  0.834941D+02
 Isotropic polarizability for W=    0.088559       97.77 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.286068D+02 -0.119411D+02 -0.159738D+02
      2  -0.229838D+02  0.126553D+02  0.107080D+02
      3  -0.562304D+01 -0.714248D+00  0.526573D+01
      4  -0.194208D+02 -0.648596D+01 -0.109164D+01
      5  -0.794071D+01 -0.245552D+01  0.859932D+01
      6  -0.435038D+00  0.124130D+02 -0.110531D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.138840D+01 -0.414226D+01  0.601692D+01
      2  -0.339876D+01 -0.443572D-01  0.498426D+01
      3  -0.549603D+01 -0.104899D+02  0.117446D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.136389D+01  0.170498D+01  0.103388D+02
      2  -0.803306D+01 -0.656597D+00  0.142224D+02
      3  -0.747971D+01 -0.164978D+02  0.202049D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.224078D+00  0.109425D+01  0.227165D+00
      2   0.109425D+01 -0.271118D+00  0.109199D+01
      3   0.227165D+00  0.109199D+01 -0.211255D+00
 OR G Eigenvalues:    -1.5994    -0.2222     1.5633  Iso=     0.0861
 Eigenvectors:
   (1)  -0.386714   0.754508  -0.530255
   (2)  -0.696534   0.137867   0.704155
   (3)   0.604395   0.641647   0.472225
 w=    0.088559 a.u., Optical Rotation Beta=      0.0861 au.
 Molar Mass =    180.1572 grams/mole, [Alpha] ( 5145.0 A) =       24.23 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   62835 ScalPx= 4.61D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   62835 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.17D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.08D-14 2.78D-09 XBig12= 1.00D+00 2.97D-01.
     30 vectors produced by pass  1 Test12= 4.08D-14 2.78D-09 XBig12= 9.79D-02 2.86D-02.
     30 vectors produced by pass  2 Test12= 4.08D-14 2.78D-09 XBig12= 6.16D-03 9.24D-03.
     30 vectors produced by pass  3 Test12= 4.08D-14 2.78D-09 XBig12= 1.12D-04 1.04D-03.
     30 vectors produced by pass  4 Test12= 4.08D-14 2.78D-09 XBig12= 3.51D-06 1.59D-04.
     30 vectors produced by pass  5 Test12= 4.08D-14 2.78D-09 XBig12= 5.72D-08 1.96D-05.
     30 vectors produced by pass  6 Test12= 4.08D-14 2.78D-09 XBig12= 5.65D-10 1.88D-06.
     30 vectors produced by pass  7 Test12= 4.08D-14 2.78D-09 XBig12= 4.98D-12 1.93D-07.
     19 vectors produced by pass  8 Test12= 4.08D-14 2.78D-09 XBig12= 4.89D-14 2.05D-08.
      1 vectors produced by pass  9 Test12= 4.08D-14 2.78D-09 XBig12= 1.88D-15 2.79D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.44D-15
 Solved reduced A of dimension   260 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   62835 ScalPx= 1.18D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   62835 ScalPx= 1.18D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   62835 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 7.91D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.110382D+03  0.845655D+00 -0.232123D+00
      2   0.845655D+00  0.994313D+02 -0.149274D+01
      3  -0.232123D+00 -0.149274D+01  0.834941D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.138840D+01 -0.414226D+01  0.601692D+01
      2  -0.339876D+01 -0.443572D-01  0.498426D+01
      3  -0.549603D+01 -0.104899D+02  0.117446D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.286068D+02 -0.119411D+02 -0.159738D+02
      2  -0.229838D+02  0.126553D+02  0.107080D+02
      3  -0.562304D+01 -0.714248D+00  0.526573D+01
      4  -0.194208D+02 -0.648596D+01 -0.109164D+01
      5  -0.794071D+01 -0.245552D+01  0.859932D+01
      6  -0.435038D+00  0.124130D+02 -0.110531D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.281592D+01  0.222799D+01 -0.848535D+00  0.164692D+01  0.204653D+01
      2   0.222799D+01  0.190018D+01  0.132392D+00  0.204653D+01 -0.275926D+01
      3  -0.848535D+00  0.132392D+00 -0.457369D+00  0.242928D+00 -0.116895D+01
                 6             7             8             9            10 
      1   0.242928D+00 -0.110741D+01  0.419274D+00 -0.388935D+00  0.235871D+01
      2  -0.116895D+01  0.419274D+00 -0.190462D+01 -0.585298D+00 -0.157125D+01
      3   0.550511D+00 -0.388935D+00 -0.585298D+00  0.773916D+01  0.107690D+01
                11            12            13            14            15 
      1  -0.157125D+01  0.107690D+01 -0.234260D+01 -0.234452D+01 -0.508963D+00
      2  -0.171221D+01 -0.242754D+00 -0.234452D+01  0.194561D+01  0.834888D+00
      3  -0.242754D+00 -0.815467D+00 -0.508963D+00  0.834888D+00  0.980739D+00
                16            17            18            19            20 
      1   0.175706D+01 -0.561000D+00  0.300969D+00  0.170405D+01 -0.209492D+01
      2  -0.561000D+00  0.103321D+01  0.427199D+00 -0.209492D+01 -0.182555D+01
      3   0.300969D+00  0.427199D+00 -0.811348D+01  0.971530D+00  0.605345D-01
                21            22            23            24            25 
      1   0.971530D+00 -0.312877D+01 -0.239715D+01  0.356082D-01  0.164367D+01
      2   0.605345D-01 -0.239715D+01  0.261833D+01  0.918692D+00  0.152583D+00
      3   0.736629D+00  0.356082D-01  0.918692D+00  0.104804D+01  0.123300D+00
                26            27            28            29            30 
      1   0.152583D+00  0.123300D+00 -0.125723D+01  0.302588D+01 -0.115037D+01
      2   0.156653D+01  0.497077D+00  0.302588D+01  0.121809D+01  0.996613D-01
      3   0.497077D+00 -0.746220D+01 -0.115037D+01  0.996613D-01 -0.868015D+00
                31            32            33            34            35 
      1   0.337372D+01  0.234070D+01  0.200757D+00 -0.146502D+01  0.302184D+00
      2   0.234070D+01 -0.353298D+01 -0.974826D+00  0.302184D+00 -0.144416D+01
      3   0.200757D+00 -0.974826D+00 -0.672714D+00 -0.553780D+00  0.159094D-01
                36            37            38            39            40 
      1  -0.553780D+00  0.260234D+01 -0.253433D+01  0.654992D+00 -0.399937D+01
      2   0.159094D-01 -0.253433D+01 -0.191401D+00 -0.440288D+00 -0.884917D+00
      3   0.780271D+01  0.654992D+00 -0.440288D+00  0.937518D-01 -0.121916D+00
                41            42            43            44            45 
      1  -0.884917D+00 -0.121916D+00  0.289365D+01  0.262115D+00  0.205117D+00
      2  -0.318919D+01  0.101740D+01  0.262115D+00  0.126012D+01 -0.835215D+00
      3   0.101740D+01  0.443263D+00  0.205117D+00 -0.835215D+00 -0.916243D+00
                46            47            48            49            50 
      1  -0.358598D+01  0.344309D+00 -0.306059D+00  0.279540D+01  0.214316D+01
      2   0.344309D+00  0.194322D+01  0.701283D+00  0.214316D+01 -0.206891D+01
      3  -0.306059D+00  0.701283D+00 -0.233297D+00  0.134225D+00 -0.708109D+00
                51            52            53            54            55 
      1   0.134225D+00 -0.154188D+01  0.200908D+00  0.165228D+00  0.401546D+01
      2  -0.708109D+00  0.200908D+00 -0.118940D+01  0.279498D-02 -0.755817D+00
      3  -0.162268D+01  0.165228D+00  0.279498D-02  0.780231D+01  0.131316D+01
                56            57            58            59            60 
      1  -0.755817D+00  0.131316D+01 -0.261564D+00 -0.254454D+00 -0.254571D+00
      2   0.164787D+01 -0.141761D+00 -0.254454D+00  0.759700D+01  0.137373D+01
      3  -0.141761D+00  0.749215D+00 -0.254571D+00  0.137373D+01 -0.145155D+00
                61            62            63            64            65 
      1   0.199177D+01 -0.975894D+00  0.324401D-01  0.477290D+00 -0.282057D+00
      2  -0.975894D+00  0.311089D+01  0.166084D+01 -0.282057D+00 -0.330987D+00
      3   0.324401D-01  0.166084D+01  0.418329D+00 -0.991828D+00 -0.331255D-02
                66            67            68            69            70 
      1  -0.991828D+00 -0.183065D+00 -0.362118D+00  0.292002D-01 -0.160078D+01
      2  -0.331255D-02 -0.362118D+00  0.829131D+00 -0.115001D+01  0.114977D+00
      3   0.133981D+00  0.292002D-01 -0.115001D+01  0.327296D+00 -0.417000D-01
                71            72            73            74            75 
      1   0.114977D+00 -0.417000D-01 -0.412434D+01  0.312160D+01 -0.114296D+01
      2  -0.183873D+01  0.889342D+00  0.312160D+01  0.772985D+00 -0.583821D-01
      3   0.889342D+00 -0.748812D+01 -0.114296D+01 -0.583821D-01  0.682941D+00
                76            77            78            79            80 
      1   0.596018D+01 -0.329275D+00  0.341325D+00 -0.291759D+01  0.157575D+00
      2  -0.329275D+00  0.329165D+01 -0.952680D+00  0.157575D+00 -0.109070D+01
      3   0.341325D+00 -0.952680D+00  0.535002D+00 -0.146069D+01  0.554398D+00
                81            82            83            84            85 
      1  -0.146069D+01 -0.735741D+00  0.310604D+00  0.116691D+01  0.287481D+00
      2   0.554398D+00  0.310604D+00  0.249503D+00  0.362732D-01  0.247872D+00
      3  -0.321422D+00  0.116691D+01  0.362732D-01 -0.272276D+00  0.576768D-01
                86            87            88            89            90 
      1   0.247872D+00  0.576768D-01  0.198630D+01  0.105393D+00 -0.848797D+00
      2  -0.476375D+00  0.108500D+01  0.105393D+00  0.148585D+01 -0.256459D+00
      3   0.108500D+01 -0.457767D+00 -0.848797D+00 -0.256459D+00  0.773973D+01
                91            92            93            94            95 
      1  -0.213083D+00  0.228663D+00  0.107511D+01  0.270304D+00  0.466358D+00
      2   0.228663D+00  0.408088D+00  0.698526D-01  0.466358D+00 -0.429459D+00
      3   0.107511D+01  0.698526D-01 -0.873782D-01  0.776654D-01  0.979872D+00
                96            97            98            99           100 
      1   0.776654D-01  0.176582D+01  0.490347D-01  0.332184D+00  0.586108D+01
      2   0.979872D+00  0.490347D-01  0.157922D+01  0.218795D+00  0.201280D+01
      3  -0.235979D+00  0.332184D+00  0.218795D+00  0.738364D+01 -0.881482D+00
               101           102           103           104           105 
      1   0.201280D+01 -0.881482D+00  0.970152D+00  0.301417D+01  0.117851D+00
      2   0.353534D+01  0.140138D+00  0.301417D+01 -0.248537D+01 -0.101288D+01
      3   0.140138D+00 -0.598510D-01  0.117851D+00 -0.101288D+01 -0.723936D+00
               106           107           108           109           110 
      1  -0.178945D+01 -0.444751D+00  0.114015D+01  0.200554D+01 -0.291727D+01
      2  -0.444751D+00 -0.214494D+01  0.601977D+00 -0.291727D+01  0.459190D+00
      3   0.114015D+01  0.601977D+00 -0.200374D+00  0.183420D+01 -0.342983D+00
               111           112           113           114           115 
      1   0.183420D+01 -0.247843D+01 -0.163429D+01 -0.552166D-01  0.273722D+01
      2  -0.342983D+00 -0.163429D+01  0.665585D+01  0.135606D+01 -0.830770D-01
      3   0.100812D+01 -0.552166D-01  0.135606D+01 -0.136356D+00 -0.235987D+00
               116           117           118           119           120 
      1  -0.830770D-01 -0.235987D+00  0.909175D+00 -0.583212D+00 -0.111146D+01
      2   0.136862D+01  0.577902D+00 -0.583212D+00 -0.242734D-01 -0.239703D-01
      3   0.577902D+00 -0.759118D+01 -0.111146D+01 -0.239703D-01  0.604979D+00
               121           122           123           124           125 
      1  -0.597546D+00 -0.493813D-01 -0.858682D-01 -0.222636D+01 -0.108393D+00
      2  -0.493813D-01  0.247232D+00 -0.101487D+01 -0.108393D+00 -0.132645D+01
      3  -0.858682D-01 -0.101487D+01 -0.458714D-01  0.874187D+00 -0.474986D+00
               126           127           128           129           130 
      1   0.874187D+00 -0.415977D+01 -0.255412D+01  0.141327D+00 -0.265078D+01
      2  -0.474986D+00 -0.255412D+01 -0.270002D+01  0.137032D-01 -0.280507D+01
      3  -0.743927D+01  0.141327D+00  0.137032D-01 -0.155433D+00 -0.308286D+00
               131           132           133           134           135 
      1  -0.280507D+01 -0.308286D+00 -0.506997D+00 -0.730966D+00 -0.223005D+00
      2  -0.506252D+01 -0.368287D+00 -0.730966D+00 -0.160858D+01  0.728482D+00
      3  -0.368287D+00  0.981767D+00 -0.223005D+00  0.728482D+00 -0.490639D+01
               136           137           138           139           140 
      1   0.856530D-01 -0.351784D+00 -0.120596D+01 -0.377120D+00 -0.546187D+00
      2  -0.351784D+00 -0.416605D+00 -0.763812D-01 -0.546187D+00 -0.352260D+00
      3  -0.120596D+01 -0.763812D-01 -0.238221D+00  0.284138D-01 -0.102514D+01
               141           142           143           144           145 
      1   0.284138D-01 -0.210705D+01 -0.326941D+00 -0.890419D+00 -0.540304D+01
      2  -0.102514D+01 -0.326941D+00 -0.154018D+01 -0.114608D+01  0.293614D+01
      3  -0.176791D+00 -0.890419D+00 -0.114608D+01 -0.774875D+01 -0.512888D+00
               146           147           148           149           150 
      1   0.293614D+01 -0.512888D+00  0.203078D+01 -0.163382D+01  0.131966D+00
      2  -0.332927D+01  0.654874D-01 -0.163382D+01  0.222748D+01 -0.254405D+00
      3   0.654874D-01 -0.100814D+01  0.131966D+00 -0.254405D+00  0.620036D+00
               151           152           153           154           155 
      1  -0.119527D+01  0.599668D+00 -0.717180D+00 -0.584964D+01 -0.191526D+01
      2   0.599668D+00 -0.933483D+00  0.638620D+00 -0.191526D+01 -0.182508D+01
      3  -0.717180D+00  0.638620D+00 -0.141914D+00  0.299399D-01  0.286506D-01
               156           157           158           159           160 
      1   0.299399D-01 -0.412692D+01 -0.180041D+01 -0.161144D+00  0.788270D+00
      2   0.286506D-01 -0.180041D+01 -0.233742D+01  0.219732D+00  0.172397D+00
      3  -0.938038D+00 -0.161144D+00  0.219732D+00 -0.593464D+00 -0.824027D+00
               161           162           163           164           165 
      1   0.172397D+00 -0.824027D+00 -0.451620D+00  0.577051D+00  0.207781D+00
      2   0.400897D+00 -0.240931D+00  0.577051D+00 -0.110598D+01 -0.590869D-01
      3  -0.240931D+00 -0.786216D-01  0.207781D+00 -0.590869D-01  0.525262D-01
               166           167           168           169           170 
      1   0.186218D+01  0.400892D+00 -0.983456D-01  0.466469D+00 -0.888934D-02
      2   0.400892D+00  0.761496D+01  0.486250D+00 -0.888934D-02  0.122166D+01
      3  -0.983456D-01  0.486250D+00  0.107291D+01  0.168453D+00  0.868012D+00
               171           172           173           174           175 
      1   0.168453D+00  0.823691D+01  0.834616D+00 -0.157715D+01 -0.250115D+00
      2   0.868012D+00  0.834616D+00  0.100490D+01  0.105635D+00  0.251831D+01
      3   0.141279D+00 -0.157715D+01  0.105635D+00  0.196229D+00  0.179320D+00
               176           177           178           179           180 
      1   0.251831D+01  0.179320D+00 -0.261321D+01 -0.196480D+00  0.185323D+01
      2  -0.430647D+01 -0.622722D+00 -0.196480D+00 -0.637110D+00  0.137153D+00
      3  -0.622722D+00 -0.889784D+00  0.185323D+01  0.137153D+00 -0.664454D+00
               181           182           183           184           185 
      1   0.591091D+00 -0.122391D+01 -0.570193D+00 -0.222433D+01  0.221746D+01
      2  -0.122391D+01  0.638308D+00  0.102234D+00  0.221746D+01 -0.920494D+01
      3  -0.570193D+00  0.102234D+00  0.245681D+00  0.110988D+00 -0.762140D+00
               186           187           188           189           190 
      1   0.110988D+00 -0.115342D+01  0.409116D+00  0.473011D+00  0.870104D-01
      2  -0.762140D+00  0.409116D+00 -0.151599D+01 -0.129138D+01  0.291723D+00
      3  -0.104373D+01  0.473011D+00 -0.129138D+01  0.779939D-01  0.122812D+01
               191           192           193           194           195 
      1   0.291723D+00  0.122812D+01  0.817511D+00  0.242242D+00  0.952806D-02
      2   0.307911D-01  0.395476D-01  0.242242D+00 -0.775730D+00  0.998623D+00
      3   0.395476D-01 -0.516182D-01  0.952806D-02  0.998623D+00  0.316142D+00
               196           197           198           199           200 
      1   0.211306D+01 -0.211783D+00  0.103277D+01 -0.466434D+00 -0.216866D+00
      2  -0.211783D+00  0.134573D+01 -0.989483D+00 -0.216866D+00  0.860213D-01
      3   0.103277D+01 -0.989483D+00  0.866370D+01  0.406609D+00 -0.121431D+00
               201           202           203           204           205 
      1   0.406609D+00 -0.305543D+00 -0.237422D+00  0.177194D+00  0.169912D+01
      2  -0.121431D+00 -0.237422D+00 -0.134079D+01  0.834588D+00  0.841597D+00
      3   0.325523D+00  0.177194D+00  0.834588D+00 -0.105684D+01 -0.969061D+00
               206           207           208           209           210 
      1   0.841597D+00 -0.969061D+00  0.128502D+00  0.108942D+01  0.192295D+00
      2   0.251330D+01 -0.232238D+01  0.108942D+01 -0.433095D+00 -0.850425D-01
      3  -0.232238D+01  0.555703D+01  0.192295D+00 -0.850425D-01  0.355524D+00
               211           212           213           214           215 
      1   0.291152D+01 -0.358683D+00 -0.280336D+00  0.382008D+00 -0.138648D+00
      2  -0.358683D+00  0.529441D+01 -0.898338D-01 -0.138648D+00  0.288314D+00
      3  -0.280336D+00 -0.898338D-01  0.925357D+00  0.452536D+00  0.323707D+00
               216 
      1   0.452536D+00
      2   0.323707D+00
      3  -0.253454D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.113265D+01  0.164709D-01 -0.380362D+00 -0.116980D+01  0.201305D+01
      2   0.796332D+00 -0.201900D-01  0.174044D+01  0.482193D+00  0.151446D+01
      3  -0.146533D+01  0.113471D+00 -0.872437D+00  0.608261D+01 -0.154905D+00
                 6             7             8             9            10 
      1   0.473456D-02  0.487667D+00  0.409228D+01 -0.790779D+01 -0.734840D+00
      2   0.126990D+00 -0.290311D+01  0.259498D-01 -0.499634D+01 -0.217927D+01
      3  -0.352668D+00 -0.744707D+00 -0.128567D+01 -0.896374D+00 -0.210120D+01
                11            12            13            14            15 
      1  -0.150420D+01 -0.638152D+00 -0.136221D+00 -0.146124D+01 -0.226113D+01
      2  -0.185694D+00  0.871305D+00  0.547234D+00 -0.139717D+01 -0.144966D+01
      3  -0.584089D+01 -0.805803D-01  0.295399D+00  0.288059D+01  0.219067D+01
                16            17            18            19            20 
      1  -0.918300D+00  0.210746D+01 -0.386884D+00 -0.179274D+01  0.841305D-01
      2  -0.379061D+01 -0.795591D+00  0.114939D+02  0.715218D-01  0.101247D+01
      3  -0.422124D+00  0.164505D+01  0.879304D+00  0.264182D+01 -0.388607D+01
                21            22            23            24            25 
      1   0.456039D+00 -0.758383D+00 -0.121257D+01 -0.125906D+01  0.299999D+00
      2   0.623460D+00  0.556587D+00  0.833134D+00 -0.748931D-01 -0.422010D+01
      3   0.407932D+00  0.256292D+01 -0.396939D+01 -0.129118D+01  0.162030D+01
                26            27            28            29            30 
      1   0.236583D+01  0.523823D+01 -0.136050D+01  0.368077D+00  0.870068D+00
      2   0.392849D+00 -0.420307D+01 -0.202555D+01  0.102280D+01 -0.144866D+01
      3  -0.101189D+01 -0.390611D+00 -0.410725D+01 -0.767966D+01  0.253861D+00
                31            32            33            34            35 
      1  -0.576596D+00  0.668306D-01 -0.869531D+00 -0.671474D+00  0.343098D+01
      2  -0.180845D+00 -0.116655D+01 -0.240763D+01 -0.532284D+01  0.857234D+00
      3  -0.331386D+01  0.567499D+01  0.188377D+01  0.838581D+00  0.919068D+00
                36            37            38            39            40 
      1   0.391297D+01  0.183293D+01 -0.134680D-01 -0.908127D+00  0.387364D+00
      2   0.126763D+02  0.360220D+00  0.108435D+00  0.925554D+01 -0.239330D+00
      3   0.578578D+00 -0.482737D+01 -0.197707D+01 -0.143937D+01  0.168289D+02
                41            42            43            44            45 
      1   0.760336D+00 -0.425475D+01  0.157661D+01  0.183823D+01  0.516072D+00
      2  -0.815957D-01  0.552914D+00 -0.644244D+01 -0.125524D+01  0.986039D+00
      3   0.196345D+01 -0.255739D-01 -0.460011D+01 -0.744584D+00 -0.264465D+00
                46            47            48            49            50 
      1  -0.234266D+00 -0.256203D+00 -0.224851D+00 -0.118910D+01  0.817997D-01
      2   0.121623D+01  0.423293D+00 -0.325785D+01 -0.104623D+00  0.222737D+01
      3   0.658372D+01  0.357754D+01  0.444058D+00  0.662815D+00 -0.312963D+01
                51            52            53            54            55 
      1  -0.971721D+00 -0.110436D+01  0.357357D+01  0.828559D+01 -0.387428D+01
      2   0.238874D+01 -0.412982D+01 -0.108300D+01 -0.129346D+02 -0.316146D+01
      3  -0.179650D+01  0.200232D+01 -0.166385D+01 -0.605473D+00  0.139263D+02
                56            57            58            59            60 
      1   0.143954D+01 -0.126801D+01  0.185572D+01 -0.354234D+01 -0.564333D+01
      2   0.225488D+01  0.117411D+01  0.487536D+00 -0.205646D+01 -0.440768D+00
      3  -0.485484D+01  0.266836D+01  0.377505D+01  0.804765D+01  0.344785D+00
                61            62            63            64            65 
      1  -0.913525D+00  0.735034D+00 -0.301968D+01  0.120423D+01 -0.280983D-01
      2  -0.427517D+01 -0.302032D+00 -0.106133D+01  0.103529D+01 -0.315021D+00
      3   0.566852D+01  0.125155D+01  0.165320D+01  0.510026D+00 -0.143385D+01
                66            67            68            69            70 
      1  -0.433674D+00  0.748986D-01  0.133072D+01 -0.244970D+00 -0.224545D+00
      2   0.662316D+00 -0.207236D+00  0.533232D+00  0.461872D-01 -0.362057D+01
      3  -0.120177D+01  0.507194D+00  0.163460D+00 -0.724511D+00 -0.226971D+01
                71            72            73            74            75 
      1   0.327985D+01  0.914631D+01 -0.754483D+00  0.116460D+00  0.121646D+01
      2  -0.447953D+00  0.515849D+01  0.482520D+01  0.104816D+01  0.433171D+01
      3  -0.109952D+01  0.814089D+00  0.982245D+01 -0.230102D+00 -0.246501D+00
                76            77            78            79            80 
      1  -0.171216D+01 -0.616694D+00 -0.240220D+01  0.143104D+01  0.314475D+01
      2   0.854164D+00  0.278086D+01 -0.329712D+01 -0.768897D+00 -0.180893D+01
      3   0.732913D+01  0.151079D+02 -0.213343D+01 -0.557715D+00 -0.468313D+01
                81            82            83            84            85 
      1   0.459683D+00  0.199119D-02  0.198902D+00 -0.296328D-01  0.440515D+00
      2   0.262304D+01 -0.209272D+01 -0.643935D-01  0.401161D+00  0.943564D-01
      3   0.976416D+00  0.557309D+00 -0.355736D+00  0.121843D+00  0.143501D+01
                86            87            88            89            90 
      1  -0.439824D+00 -0.106372D+01  0.313470D+00  0.380671D+01 -0.123727D+01
      2  -0.189776D+01  0.870084D+00 -0.291441D+01  0.301144D+00 -0.127275D+02
      3  -0.605149D+00  0.160580D+01  0.268374D+00  0.278890D+01 -0.125110D+00
                91            92            93            94            95 
      1  -0.104401D+01  0.211252D+00  0.484689D+00  0.193585D+00 -0.136484D+01
      2   0.118279D+01  0.256712D+00 -0.156439D-01  0.598831D+00  0.375925D+00
      3  -0.300323D+00 -0.874918D+00  0.828231D+00  0.962223D+00  0.309303D+00
                96            97            98            99           100 
      1  -0.289467D+00 -0.317898D+00  0.374811D+01 -0.632381D+01  0.216371D+01
      2  -0.590611D+00 -0.426843D+01  0.240802D+00  0.469397D+01 -0.170550D+01
      3  -0.545427D+00  0.126970D+01 -0.107039D+01 -0.419761D-01  0.866459D+01
               101           102           103           104           105 
      1  -0.169950D+00 -0.185805D+01  0.780700D+00  0.401177D+01 -0.235961D+01
      2  -0.750629D+00  0.480288D+01  0.206323D+00 -0.182657D+01  0.985969D+00
      3  -0.997432D+01 -0.145088D+01 -0.885547D+00  0.123161D+02  0.219034D+01
               106           107           108           109           110 
      1  -0.170986D+01  0.345631D+01  0.165761D+01  0.160330D+01 -0.918213D-01
      2  -0.141156D+01  0.885559D+00 -0.140731D+01  0.335375D+01 -0.292551D+00
      3  -0.381644D+01  0.397132D+01  0.800827D+00  0.295592D+01  0.280919D+01
               111           112           113           114           115 
      1   0.173362D+01 -0.154809D+01  0.704520D+01 -0.120460D+01 -0.137016D+01
      2   0.163097D+01  0.182746D+00  0.326863D+01 -0.166776D+01 -0.509116D+01
      3  -0.140690D+01  0.114651D+02 -0.140834D+02 -0.319211D+01 -0.297576D+01
               116           117           118           119           120 
      1   0.280107D+01 -0.126879D+02 -0.442874D+00  0.558135D-01  0.577700D+00
      2   0.183210D+01 -0.168506D+02 -0.105884D+01 -0.350021D+00  0.131632D+01
      3  -0.372637D+01 -0.131714D+01  0.530919D+00 -0.941662D-01  0.900715D+00
               121           122           123           124           125 
      1  -0.215650D+00 -0.968425D+00 -0.405920D+00  0.394329D+00  0.338823D+01
      2  -0.140692D+00 -0.122046D+01 -0.423123D-01 -0.353691D+01 -0.483521D+00
      3   0.189807D+01 -0.104512D+01  0.144527D+01  0.196231D+01  0.219005D+01
               126           127           128           129           130 
      1  -0.403040D+01  0.108523D+00 -0.291981D+00 -0.196030D+01  0.483744D+00
      2  -0.100895D+02 -0.414666D+00 -0.149515D+01  0.573207D+01  0.369539D+00
      3  -0.277982D+00  0.552985D+01 -0.560596D+01  0.739170D+00  0.542395D+01
               131           132           133           134           135 
      1   0.621080D-01 -0.325762D+01  0.103261D+01  0.474750D+01 -0.126252D+02
      2   0.540635D+00 -0.651591D+00 -0.108937D+01 -0.279840D+01  0.109504D+02
      3  -0.515073D+01 -0.532850D+00  0.142558D+00 -0.103423D+01  0.261535D+01
               136           137           138           139           140 
      1  -0.154431D+01  0.716258D-01 -0.380794D+00  0.613110D+00 -0.117216D+01
      2   0.218474D+01 -0.111549D-01  0.532273D+00  0.189655D+00  0.112099D+01
      3  -0.689128D+00 -0.124514D+01  0.183554D+01  0.509994D+00  0.891984D+00
               141           142           143           144           145 
      1  -0.386980D+00 -0.637370D+00  0.274925D+01 -0.894412D+01  0.302260D+01
      2  -0.341029D-01 -0.323764D+01  0.121939D+01  0.113302D+02  0.292852D+01
      3  -0.143632D+01  0.306760D+01 -0.179531D+01  0.563085D+00 -0.144588D+02
               146           147           148           149           150 
      1  -0.126866D+01  0.322239D+01 -0.976038D+00  0.125901D+01 -0.161417D+01
      2  -0.158255D+01  0.240020D+01 -0.114764D+01  0.964674D+00 -0.118192D+01
      3   0.277122D+01 -0.188760D+01  0.438410D+01 -0.259610D+01  0.133727D+00
               151           152           153           154           155 
      1   0.209834D+01 -0.863391D+00  0.556519D+00  0.121244D+01  0.744540D+00
      2   0.723351D+00 -0.115248D+01  0.529035D+00 -0.226866D+01 -0.115341D+01
      3  -0.372847D+01  0.473844D+00 -0.111741D+01 -0.958175D+01 -0.820330D+01
               156           157           158           159           160 
      1  -0.266088D+00  0.100318D+01  0.779062D+00 -0.332564D+00 -0.211741D+00
      2   0.337123D+01 -0.140662D+01 -0.167135D+01  0.252780D+01  0.164128D+01
      3   0.995300D-01 -0.739941D+01 -0.118386D+02  0.961320D+00  0.842312D+00
               161           162           163           164           165 
      1   0.776740D+00  0.290963D+00 -0.511820D+00  0.508551D+00  0.230780D+00
      2   0.934004D+00  0.631266D-01  0.444826D+00 -0.195704D+00 -0.246028D+00
      3   0.219670D+01 -0.810117D+00 -0.397258D+01  0.409550D+01  0.869176D+00
               166           167           168           169           170 
      1   0.430312D+00 -0.268593D+01 -0.322619D+01 -0.257540D+00 -0.130906D+01
      2  -0.331751D+00  0.785143D+00  0.153562D+01 -0.883862D+00  0.120960D+01
      3   0.578025D+01 -0.163028D+02 -0.160664D+01  0.175499D+01 -0.312601D+01
               171           172           173           174           175 
      1  -0.444673D+00 -0.116479D+01 -0.960207D+00 -0.152846D+01  0.799185D+00
      2   0.852948D-01 -0.432115D+01 -0.991871D+00  0.715799D+01  0.434926D+00
      3  -0.104246D+01 -0.871675D+01 -0.126062D+02  0.182040D+01 -0.730633D+01
               176           177           178           179           180 
      1   0.137505D+01 -0.345556D+01  0.208352D+01  0.392703D+01  0.320955D+00
      2  -0.162624D+01 -0.150546D+01  0.207471D+01  0.249581D+00 -0.378804D+01
      3   0.186433D+02  0.125971D+01  0.197264D+01  0.379401D+01 -0.217315D+01
               181           182           183           184           185 
      1  -0.150581D+01  0.580845D+00  0.700813D+00  0.894317D+00 -0.494976D+01
      2  -0.145516D+01  0.597563D+00  0.134467D+01  0.533882D+00 -0.203996D+01
      3   0.271115D+01 -0.555652D+00  0.680125D+00  0.693887D+00  0.200603D+02
               186           187           188           189           190 
      1  -0.430705D+01  0.942454D+00 -0.170996D+01 -0.483341D+00  0.208540D+01
      2  -0.280105D+01  0.492340D+00 -0.307889D+01  0.126922D+00  0.366325D+01
      3   0.189773D+01  0.162948D+01  0.307100D+01  0.248669D+01 -0.291696D+00
               191           192           193           194           195 
      1  -0.619737D-01  0.269276D-01 -0.156212D+00  0.119321D+01  0.574023D+00
      2  -0.128162D+00 -0.234056D+00 -0.706927D+00  0.267248D+01  0.728057D+00
      3  -0.131009D+01 -0.162672D+01 -0.103710D+01  0.138433D+01 -0.226154D+01
               196           197           198           199           200 
      1   0.928964D+00  0.266524D+01  0.124552D+02  0.927255D+00  0.153649D-01
      2  -0.229103D+01 -0.212936D+01  0.209965D+02 -0.182904D+01 -0.213550D-01
      3  -0.238286D+01 -0.320807D+01  0.172534D+01 -0.261590D+00  0.119113D+00
               201           202           203           204           205 
      1   0.976748D+00  0.461067D+00  0.219700D+01 -0.279460D+01 -0.231752D+01
      2  -0.796991D+00 -0.640342D+00 -0.202684D+01  0.255381D+01  0.646658D-01
      3  -0.106982D+01  0.481689D+00 -0.185165D+01  0.137184D+01 -0.245054D+01
               206           207           208           209           210 
      1  -0.388410D+01  0.145002D+02 -0.330310D+00  0.234992D+00 -0.619748D+00
      2   0.538576D+01 -0.127374D+02  0.336332D+00  0.868120D-01  0.429412D+00
      3   0.346462D+01 -0.308009D+01 -0.408401D+01  0.352539D+01  0.362076D+00
               211           212           213           214           215 
      1   0.133587D+00 -0.301464D+01  0.247164D+00 -0.510934D+00  0.848929D+00
      2  -0.431972D+00 -0.606579D+00  0.382872D+01  0.587579D-02  0.137805D+01
      3   0.405966D+01 -0.262927D+02  0.498818D+00  0.908754D+00 -0.131709D+01
               216 
      1   0.230006D-02
      2  -0.802620D+00
      3  -0.950514D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.106695D+01 -0.706414D+01  0.295115D+00 -0.489135D+01  0.729910D+01
      2   0.402756D+01  0.899398D+01 -0.668823D+00  0.612658D+01 -0.164278D+02
      3  -0.296061D+01 -0.192984D+01  0.373708D+00 -0.123523D+01  0.912866D+01
      4  -0.531932D+01 -0.769964D+00 -0.843806D+00 -0.726814D+01  0.726558D+01
      5   0.130835D+01 -0.816038D+00  0.149125D+00 -0.211294D+01  0.166306D+01
      6   0.168627D+00  0.111651D+01  0.731576D+00  0.203920D+01 -0.571479D+01
                 6             7             8             9            10 
      1   0.229956D+01  0.134441D+01  0.378303D+01  0.730263D+01 -0.143053D+02
      2  -0.170481D+01  0.315894D-01 -0.917362D+01  0.418477D+01  0.599888D+01
      3  -0.594753D+00 -0.137600D+01  0.539059D+01 -0.114874D+02  0.830644D+01
      4   0.209174D+01 -0.225467D+01  0.334615D+01 -0.345402D-01  0.804008D+01
      5   0.369638D+00  0.798527D+00  0.987213D+00 -0.106071D+02 -0.634340D+01
      6  -0.534280D+01 -0.290156D+00 -0.229442D+01  0.199576D+02  0.507750D+00
                11            12            13            14            15 
      1   0.418526D+01 -0.191708D+01  0.948622D+01  0.886450D+01  0.130634D+01
      2  -0.130500D+01  0.325022D+01 -0.607118D+01 -0.507617D+01 -0.170328D+01
      3  -0.288026D+01 -0.133315D+01 -0.341504D+01 -0.378833D+01  0.396937D+00
      4  -0.154197D+01  0.101598D+01  0.615187D+01 -0.649153D+01 -0.227455D+01
      5   0.839860D+00 -0.268906D+01  0.276084D+01 -0.109969D+01 -0.267550D+01
      6  -0.146200D+01  0.174067D+01 -0.104065D+01  0.220701D+00  0.937042D+00
                16            17            18            19            20 
      1  -0.956253D+01  0.136244D+01  0.554118D+01 -0.422779D+01  0.116605D+01
      2   0.312095D+01 -0.131184D+01  0.669875D+01 -0.956737D+00 -0.591719D+01
      3   0.644158D+01 -0.505932D-01 -0.122399D+02  0.518452D+01  0.475114D+01
      4   0.442184D+01 -0.360045D+01 -0.213873D+01 -0.363871D+01 -0.849515D+01
      5  -0.187637D+01 -0.187463D+01  0.290282D+02  0.277775D+01  0.117258D+01
      6   0.261837D+00 -0.824480D-01  0.528033D+00  0.321604D+00  0.115416D+01
                21            22            23            24            25 
      1  -0.284519D+00 -0.614704D+01 -0.401972D+01 -0.172101D+01  0.260479D+01
      2  -0.182589D+01  0.929523D+00  0.280862D+01  0.348018D+00  0.308540D+00
      3   0.211041D+01  0.521751D+01  0.121110D+01  0.137299D+01 -0.291333D+01
      4   0.791158D+00 -0.922241D+01 -0.513781D+00  0.385619D+00  0.346135D+01
      5  -0.269806D+01  0.150825D+01  0.742010D+00 -0.548819D+00  0.369352D-01
      6  -0.110466D+01  0.237006D+00  0.252857D+01 -0.546156D+00  0.267827D-01
                26            27            28            29            30 
      1  -0.258684D+00  0.564825D+01 -0.126808D+02  0.886246D+01 -0.412879D+01
      2   0.197852D+01  0.831662D+01  0.547937D+01 -0.651507D+01  0.102880D+01
      3  -0.171984D+01 -0.139649D+02  0.720140D+01 -0.234738D+01  0.309999D+01
      4   0.351347D+01  0.133134D+01  0.204619D+01 -0.714392D+01  0.268035D+01
      5   0.619583D+00 -0.102826D+02 -0.451892D+01  0.133230D+01 -0.690608D+01
      6   0.195606D+01 -0.121052D+02  0.363534D+01 -0.736944D+00  0.584031D+00
                31            32            33            34            35 
      1   0.577848D+01  0.316855D+01 -0.234695D+01 -0.280271D+01  0.677086D+00
      2  -0.369101D+01 -0.285750D+01 -0.931757D-01 -0.601975D+00  0.106416D+01
      3  -0.208747D+01 -0.311049D+00  0.244012D+01  0.340469D+01 -0.174125D+01
      4  -0.599068D+01 -0.127320D+02 -0.188134D+01  0.254458D+01 -0.197643D+01
      5   0.572749D+00 -0.121920D+01 -0.373590D+01 -0.288308D+01  0.409098D+00
      6  -0.766263D+00  0.151798D+01 -0.131787D+01  0.113306D+01 -0.623053D+00
                36            37            38            39            40 
      1   0.529791D+01  0.151623D+01 -0.231655D+01 -0.885797D+00  0.813994D+00
      2   0.573389D+01  0.590399D+00  0.190813D+01 -0.330360D+00  0.143153D+00
      3  -0.110318D+02 -0.210663D+01  0.408415D+00  0.121616D+01 -0.957147D+00
      4   0.708642D+00 -0.468503D+01  0.142502D+02 -0.179126D+01  0.124309D+02
      5   0.224318D+02  0.133953D+01 -0.106933D+00  0.155929D+02 -0.117157D+01
      6  -0.934518D+01 -0.201900D+01  0.162260D+01  0.174753D+01 -0.308829D+00
                41            42            43            44            45 
      1  -0.139969D+02  0.365554D+01  0.905359D+00  0.258968D+01 -0.651152D+01
      2   0.191234D+02 -0.145403D+01 -0.183529D+01 -0.342335D+01 -0.274228D+00
      3  -0.512654D+01 -0.220151D+01  0.929927D+00  0.833671D+00  0.678574D+01
      4   0.215201D+01 -0.277157D+00 -0.701342D+01 -0.450691D+00 -0.131647D+01
      5  -0.508560D+00  0.160321D+01  0.412711D+01 -0.357960D+00  0.147582D+01
      6  -0.371227D+01  0.511391D+01 -0.940885D+00  0.682564D+01  0.206401D+00
                46            47            48            49            50 
      1  -0.859369D+01  0.393699D+01  0.376748D+01 -0.664745D+01 -0.438888D+01
      2   0.456391D+01 -0.804016D+01 -0.136162D+01 -0.650927D+00 -0.230898D+01
      3   0.402978D+01  0.410317D+01 -0.240587D+01  0.729837D+01  0.669786D+01
      4   0.321432D+01 -0.175631D+02 -0.682249D+00 -0.170458D+02 -0.161145D+01
      5   0.100821D+01 -0.473844D+00 -0.849253D+01  0.139962D+01  0.118583D+01
      6  -0.773171D-02 -0.195688D+01 -0.218206D+01  0.618169D+00  0.198017D+01
                51            52            53            54            55 
      1  -0.134128D+01  0.380906D+01 -0.646570D+00  0.818992D+01 -0.373235D+01
      2  -0.186772D+00  0.854605D+00  0.571218D+01  0.777145D+01 -0.258106D+01
      3   0.152805D+01 -0.466367D+01 -0.506561D+01 -0.159614D+02  0.631342D+01
      4   0.197129D+01  0.319293D+01  0.257379D+01  0.131746D+01  0.196752D+02
      5   0.308755D+01 -0.224707D+01 -0.180396D+00 -0.237740D+02 -0.233261D+01
      6  -0.128794D+01 -0.105190D+00 -0.836900D+00 -0.207200D+02  0.651685D+01
                56            57            58            59            60 
      1   0.410373D+00 -0.240078D+01  0.309767D+01 -0.297103D+02 -0.577643D+01
      2   0.450386D+01  0.719197D+00 -0.212312D+01  0.462183D+02  0.521165D+01
      3  -0.491423D+01  0.168158D+01 -0.974549D+00 -0.165081D+02  0.564780D+00
      4  -0.375204D+01  0.537848D+01  0.364106D+01 -0.135362D+02 -0.378186D+01
      5   0.106793D+01  0.361133D+01  0.138235D+01 -0.289696D+01 -0.133083D+01
      6  -0.170142D+01  0.171857D+01 -0.242006D+01  0.106535D+02  0.106213D+02
                61            62            63            64            65 
      1  -0.194263D+01 -0.849197D+01 -0.864854D+01 -0.130345D+00  0.648674D+00
      2  -0.185883D+01  0.143037D+02  0.453215D+01 -0.314265D+01 -0.763649D+00
      3   0.380146D+01 -0.581173D+01  0.411640D+01  0.327300D+01  0.114974D+00
      4   0.102604D+02 -0.945772D+01 -0.213687D+01  0.949814D+00  0.203027D+01
      5   0.378896D+01 -0.362504D+01 -0.242142D+01  0.136296D+01 -0.972222D+00
      6  -0.332057D+00  0.142624D+02  0.637936D+01 -0.328356D+01 -0.396786D+00
                66            67            68            69            70 
      1   0.162644D+01  0.753184D+00 -0.421310D+01  0.293974D+01  0.180943D+01
      2  -0.674249D+00 -0.911685D+00  0.259874D+01 -0.351330D+01 -0.602839D+00
      3  -0.952186D+00  0.158501D+00  0.161436D+01  0.573565D+00 -0.120659D+01
      4  -0.264482D+01  0.189852D+01 -0.141013D+01  0.150415D+01 -0.331005D+01
      5   0.569277D+01 -0.190080D+00  0.133307D+01 -0.102233D+00  0.374218D+01
      6   0.765066D+00  0.360179D-02 -0.406691D+01  0.610536D+01 -0.317240D+00
                71            72            73            74            75 
      1   0.476479D+01 -0.150401D+02  0.256899D+02 -0.194710D+02  0.501199D+01
      2  -0.437685D+01 -0.113977D+02 -0.139846D+02  0.992229D+01 -0.552217D+01
      3  -0.387934D+00  0.264379D+02 -0.117053D+02  0.954870D+01  0.510181D+00
      4   0.281100D+01 -0.575167D+00 -0.247206D+02  0.512500D+01 -0.780933D+00
      5  -0.120784D+01  0.101204D+02  0.932469D+01 -0.397141D+00  0.780870D+01
      6   0.624576D+01 -0.219186D+02 -0.234734D+01  0.737083D+00 -0.226334D+01
                76            77            78            79            80 
      1  -0.366267D+02 -0.603940D+01 -0.532865D+00  0.164179D+02  0.360287D+00
      2   0.203950D+02  0.767923D+01  0.994451D+00 -0.102948D+02 -0.189288D+00
      3   0.162318D+02 -0.163983D+01 -0.461586D+00 -0.612309D+01 -0.170999D+00
      4   0.566583D+01 -0.190628D+02  0.485777D+01 -0.279357D+01  0.671105D+01
      5  -0.286148D+01  0.522258D+01 -0.510601D+01  0.144785D+02 -0.420429D+01
      6   0.376038D+00 -0.185828D+01  0.504977D+01 -0.248373D+01  0.446867D+01
                81            82            83            84            85 
      1   0.412168D+01  0.256330D+01 -0.915223D+00 -0.461847D+01 -0.794029D+00
      2  -0.736918D+01 -0.430186D+01  0.405214D+00  0.311374D+01  0.377798D+00
      3   0.324750D+01  0.173857D+01  0.510009D+00  0.150473D+01  0.416231D+00
      4  -0.450102D+01 -0.100202D+01  0.902010D+00  0.242885D+00  0.116408D+01
      5   0.568141D+01 -0.513118D+01 -0.259626D+00  0.609195D+01 -0.439144D+00
      6  -0.111499D+01  0.220252D+00 -0.976343D-01  0.180152D+00 -0.103035D+01
                86            87            88            89            90 
      1  -0.367061D+01  0.279251D+00 -0.648510D+01  0.659471D-01 -0.125200D+02
      2   0.269339D+00  0.779349D+00  0.569450D+01  0.604692D+00 -0.147623D+02
      3   0.340127D+01 -0.105860D+01  0.790604D+00 -0.670639D+00  0.272823D+02
      4   0.160681D+01 -0.421294D+01  0.118462D+00 -0.466677D+01  0.996800D+00
      5  -0.447037D+01  0.184397D+01  0.726098D+01  0.132253D+01 -0.295392D+02
      6  -0.105652D-01  0.659995D+01 -0.146627D+00  0.413618D+01  0.132505D+01
                91            92            93            94            95 
      1  -0.301617D+00 -0.348031D+00  0.193493D+01 -0.428656D+00 -0.198066D+01
      2  -0.256420D+01  0.627426D+00 -0.640029D+00  0.540331D+00 -0.112184D+01
      3   0.286582D+01 -0.279395D+00 -0.129491D+01 -0.111675D+00  0.310250D+01
      4  -0.165844D+00  0.220452D+01  0.159674D+01  0.269670D+01 -0.104585D+00
      5   0.187307D+01  0.191552D+00  0.512000D+01 -0.109293D+00  0.146661D+01
      6   0.185785D+01 -0.875661D-01 -0.596663D+00  0.252023D+00  0.166479D+01
                96            97            98            99           100 
      1  -0.805300D+00  0.193723D+01 -0.197369D+01 -0.153830D+02  0.221179D+02
      2   0.226309D+01 -0.152914D+01  0.271825D+01 -0.141557D+02 -0.817870D+01
      3  -0.145779D+01 -0.408093D+00 -0.744559D+00  0.295387D+02 -0.139392D+02
      4   0.169367D+01  0.248188D+01  0.254719D+01  0.339096D+00  0.200641D+02
      5  -0.700977D+00  0.453808D+01  0.366948D+00  0.109740D+02 -0.390527D+01
      6   0.549910D+01  0.567725D+00  0.428127D+01  0.129764D+02 -0.283057D+01
               101           102           103           104           105 
      1  -0.440894D+01 -0.215246D+01 -0.747976D+00  0.143413D+02  0.391020D+01
      2   0.126406D+02  0.306894D+01  0.605143D+01 -0.141177D+02 -0.381745D+01
      3  -0.823169D+01 -0.916481D+00 -0.530346D+01 -0.223613D+00 -0.927465D-01
      4   0.213581D+02 -0.202587D+01  0.170425D+02  0.819190D+00 -0.277037D+01
      5  -0.389528D+00  0.835731D+01 -0.592648D+00 -0.406985D+01  0.133877D+01
      6   0.157625D+00  0.304758D+01 -0.176701D-01 -0.565478D+01  0.492534D+01
               106           107           108           109           110 
      1  -0.486909D+01  0.504997D+01 -0.234578D+00 -0.473483D+01 -0.110727D+02
      2   0.179521D+01 -0.860739D+01 -0.294441D+01  0.489697D+01  0.512205D+01
      3   0.307388D+01  0.355742D+01  0.317899D+01 -0.162136D+00  0.595063D+01
      4  -0.586039D+01 -0.729200D+01  0.451556D+01 -0.139090D+02  0.158442D+01
      5   0.845395D+01  0.284558D+01 -0.228208D+01  0.118724D+02 -0.191742D+01
      6   0.511164D+01  0.573478D+01 -0.315038D+01 -0.651045D+01  0.335763D+01
               111           112           113           114           115 
      1   0.449869D+01 -0.212679D+02  0.107070D+02  0.187674D+01  0.171290D+02
      2  -0.507383D+01  0.164719D+02 -0.273474D+02 -0.577370D+01 -0.701847D+01
      3   0.575137D+00  0.479600D+01  0.166404D+02  0.389696D+01 -0.101106D+02
      4  -0.465231D+01 -0.617061D+01  0.316850D+02  0.587440D+01 -0.245720D+01
      5  -0.678000D+00  0.908622D+00  0.585564D+01 -0.307976D+01 -0.260722D+01
      6  -0.326104D+01  0.809823D+00 -0.340273D+01 -0.183664D+00  0.605716D+00
               116           117           118           119           120 
      1   0.129574D+01  0.123865D+02  0.241611D+01 -0.158967D+01 -0.228268D+01
      2  -0.455480D+01  0.735574D+01 -0.384983D+01  0.875669D+00  0.170616D+01
      3   0.325907D+01 -0.197423D+02  0.143373D+01  0.714001D+00  0.576524D+00
      4   0.748136D+01  0.334206D+01 -0.216400D+01  0.229933D+01  0.117595D+01
      5   0.302044D+01 -0.360038D+02 -0.308680D+01 -0.107217D-01  0.701228D+01
      6  -0.163428D+01  0.158062D+02  0.124345D+01  0.167878D-01 -0.670638D+00
               121           122           123           124           125 
      1  -0.119343D+01 -0.364211D+01 -0.916756D+00 -0.412683D+01 -0.127266D+01
      2   0.383673D+00  0.786758D+00  0.145702D+01  0.525081D+01  0.766382D+00
      3   0.809756D+00  0.285535D+01 -0.540259D+00 -0.112398D+01  0.506281D+00
      4   0.241422D+01  0.537044D+00 -0.197006D+01  0.270140D+01 -0.239643D+01
      5  -0.963012D-01 -0.288443D+01  0.414933D+00  0.639715D+01 -0.114480D+01
      6  -0.476418D+00  0.172823D+01  0.618993D+01 -0.116958D+01  0.469419D+01
               126           127           128           129           130 
      1  -0.148870D+02  0.178481D+02  0.252374D+01  0.474483D+00  0.519502D+01
      2  -0.126146D+02 -0.105863D+01  0.842360D+01  0.572444D+00  0.618575D+01
      3   0.275017D+02 -0.167894D+02 -0.109473D+02 -0.104693D+01 -0.113808D+02
      4  -0.107804D+01  0.241025D+02  0.267770D+02 -0.554372D+00  0.260435D+02
      5  -0.192965D+02 -0.196129D+01 -0.825771D+00  0.823840D+01  0.112821D+00
      6   0.987781D+01 -0.380825D+00 -0.112886D+01  0.433980D+01  0.542742D+00
               131           132           133           134           135 
      1  -0.600693D+01 -0.896208D+00 -0.667849D+00 -0.375037D+01  0.548354D+01
      2   0.259122D+02  0.171713D+01  0.128077D+01  0.347599D+01 -0.272343D+01
      3  -0.199053D+02 -0.820922D+00 -0.612924D+00  0.274373D+00 -0.276011D+01
      4   0.285952D+02  0.129471D+01  0.322348D+01  0.534966D+01 -0.698314D+00
      5   0.108205D+01 -0.226899D+00  0.536288D+01 -0.197667D+01  0.181750D+02
      6   0.103516D+01  0.391391D+01  0.167192D+01  0.178505D+00  0.221247D+02
               136           137           138           139           140 
      1  -0.125868D+00  0.520049D+00  0.331662D+01 -0.331684D+00 -0.291413D+01
      2  -0.263706D+01  0.418067D-01 -0.157163D+01  0.103646D+01  0.890073D+00
      3   0.276293D+01 -0.561856D+00 -0.174499D+01 -0.704776D+00  0.202406D+01
      4   0.926023D+00  0.372365D+01  0.298095D+01  0.369591D+01  0.144620D+01
      5   0.381720D+01  0.713061D+00  0.665270D+01 -0.639819D-01  0.267406D+01
      6   0.342007D+01 -0.943415D-01  0.549551D+00  0.244746D+00  0.370843D+01
               141           142           143           144           145 
      1  -0.207354D+01  0.261666D+01 -0.393442D+01 -0.159685D+02  0.101429D+02
      2   0.315980D+01 -0.305013D+01  0.238590D+01 -0.125488D+02  0.507415D+01
      3  -0.108626D+01  0.433472D+00  0.154852D+01  0.285174D+02 -0.152171D+02
      4   0.232766D+01  0.510009D+01  0.499795D+01  0.264119D+01 -0.301693D+02
      5  -0.216822D+00  0.700772D+01  0.312052D+01  0.213404D+02  0.127038D+00
      6   0.637865D+01  0.254325D+01  0.732642D+01  0.216761D+02 -0.311177D+01
               146           147           148           149           150 
      1   0.174277D+00  0.170557D+01 -0.687930D+00 -0.188331D+01  0.260618D+00
      2  -0.119221D+02  0.299825D+00 -0.612374D+01  0.101200D+02 -0.140757D+01
      3   0.117478D+02 -0.200540D+01  0.681167D+01 -0.823668D+01  0.114695D+01
      4   0.214558D+02 -0.279549D+01  0.140023D+02 -0.118139D+02  0.142264D+01
      5   0.322004D+00  0.290574D+01  0.213302D+00  0.460210D+00 -0.169452D+01
      6   0.675019D+00 -0.500697D+01  0.920813D+00 -0.116899D+01  0.278526D+01
               151           152           153           154           155 
      1   0.165465D+01  0.103728D+01 -0.149965D+00  0.407867D+02  0.140144D+02
      2   0.125816D+01 -0.362560D+01  0.652440D+00 -0.221708D+02 -0.806704D+01
      3  -0.291281D+01  0.258832D+01 -0.502474D+00 -0.186158D+02 -0.594732D+01
      4  -0.653606D+01  0.460852D+01 -0.437449D+01  0.110667D+02  0.109707D+02
      5   0.358646D+01 -0.219462D+01  0.920860D+00  0.488250D+00  0.540337D-01
      6  -0.413761D+01  0.417133D+01 -0.912185D+00  0.101598D+01  0.951738D+00
               156           157           158           159           160 
      1  -0.865009D+00  0.277145D+02  0.116256D+02  0.285377D+00 -0.538549D+01
      2  -0.240681D-01 -0.155969D+02 -0.515691D+01 -0.517570D+00  0.304539D+01
      3   0.889077D+00 -0.121176D+02 -0.646873D+01  0.232194D+00  0.234010D+01
      4  -0.216700D+00  0.122872D+02  0.131904D+02 -0.110121D+01 -0.116357D+01
      5   0.567832D+01  0.111867D+01 -0.120094D+01  0.389030D+01  0.663278D+01
      6  -0.288135D-01  0.117198D+01  0.888945D+00  0.206741D+00  0.546636D+00
               161           162           163           164           165 
      1  -0.142647D+01  0.378892D+01 -0.145813D+01  0.545287D+01  0.769091D+00
      2   0.682893D+00 -0.337526D+01  0.259952D+01 -0.666718D+01 -0.755662D+00
      3   0.743574D+00 -0.413660D+00 -0.114139D+01  0.121431D+01 -0.134298D-01
      4  -0.215697D+01  0.175886D+01 -0.577706D+00  0.149061D+00  0.428514D+00
      5   0.211408D+01  0.277749D+00  0.470525D+00 -0.305886D+00 -0.199030D+00
      6   0.114164D+01 -0.394729D+00  0.102471D+01 -0.475181D+00 -0.755930D-01
               166           167           168           169           170 
      1   0.430229D+01 -0.233954D+02 -0.171881D+01  0.109610D+01 -0.409734D+01
      2  -0.101087D+01  0.389502D+02  0.288262D+01 -0.700316D+00  0.583685D+01
      3  -0.329141D+01 -0.155548D+02 -0.116382D+01 -0.395786D+00 -0.173950D+01
      4   0.621440D+01  0.208828D+02  0.135551D+01  0.116217D+01  0.343406D+01
      5  -0.191398D+00  0.228558D+01  0.292284D+01  0.108676D+01  0.234089D+01
      6  -0.175821D+00  0.308760D+01  0.476633D+01  0.578819D+00  0.595513D+01
               171           172           173           174           175 
      1  -0.336984D+01  0.701030D+02  0.321189D+01 -0.725889D+01  0.149381D+01
      2   0.318178D+01 -0.404559D+02 -0.991758D+00  0.721837D+01 -0.237623D+01
      3   0.188055D+00 -0.296471D+02 -0.222013D+01  0.405233D-01  0.882422D+00
      4   0.217321D+01 -0.327448D+01  0.133376D+02  0.203049D+01  0.193839D+02
      5   0.183463D+00 -0.125587D+02  0.563512D+00  0.128000D+02  0.351187D+00
      6   0.120940D+01  0.320269D+01 -0.150487D+01  0.105600D+01 -0.115979D+01
               176           177           178           179           180 
      1   0.109350D+02  0.182049D+01 -0.182616D+02 -0.603379D+00  0.855448D+01
      2  -0.131960D+01  0.101971D+01  0.113025D+02 -0.187538D+00 -0.116452D+02
      3  -0.961539D+01 -0.284021D+01  0.695912D+01  0.790916D+00  0.309069D+01
      4  -0.256821D+02 -0.417419D+01  0.923118D+00 -0.498006D+01 -0.106349D+01
      5  -0.454052D+01 -0.307886D+01  0.199295D+02  0.945488D+00 -0.762471D+01
      6   0.150948D+01  0.656559D+01 -0.248759D+01  0.360129D+01  0.486877D-02
               181           182           183           184           185 
      1   0.239398D+01 -0.652986D+01 -0.288864D+01 -0.553347D+01 -0.176739D+02
      2   0.359894D+01  0.135427D+01  0.967970D+00 -0.401590D+01  0.421445D+02
      3  -0.599293D+01  0.517560D+01  0.192068D+01  0.954937D+01 -0.244706D+02
      4  -0.881149D+01  0.105015D+02  0.169032D+01  0.180364D+02 -0.468550D+02
      5  -0.270698D+01  0.498920D+00  0.232336D+01  0.392436D+00 -0.322746D+01
      6   0.169307D+01 -0.435112D+00 -0.841554D+00  0.128238D+00  0.172129D+01
               186           187           188           189           190 
      1  -0.148073D+01 -0.477678D+01 -0.242640D+01 -0.338889D+01  0.912848D+00
      2   0.377519D+01  0.114610D+01  0.597148D+01  0.325347D+01 -0.418116D+01
      3  -0.229447D+01  0.363068D+01 -0.354509D+01  0.135420D+00  0.326831D+01
      4  -0.359958D+01  0.432290D+01 -0.773077D+01 -0.662855D+01  0.751889D+00
      5  -0.557238D+01  0.357898D+01 -0.669958D+01  0.554861D+00  0.711553D+01
      6   0.627361D+01 -0.206663D+01  0.761305D+01  0.172030D+01 -0.224610D+01
               191           192           193           194           195 
      1   0.128033D+01  0.783941D+01  0.485246D+01 -0.400616D+01  0.123641D+01
      2  -0.109258D+01 -0.419315D+01 -0.367389D+01  0.293437D+01 -0.275913D+01
      3  -0.187753D+00 -0.364626D+01 -0.117857D+01  0.107179D+01  0.152273D+01
      4   0.136242D+01 -0.222462D+01  0.147321D+01 -0.418384D+01  0.471026D+01
      5  -0.546754D+00  0.579231D+01  0.176990D+00  0.509838D+01  0.170500D+01
      6  -0.492185D+00  0.366129D+00  0.622802D+00 -0.189510D+01  0.450757D+01
               196           197           198           199           200 
      1   0.902668D+01  0.302955D+01 -0.170776D+02  0.140672D+01  0.237910D+01
      2  -0.718773D+01 -0.186978D+01 -0.138645D+02 -0.119736D+01 -0.148792D+01
      3  -0.183894D+01 -0.115977D+01  0.309421D+02 -0.209365D+00 -0.891182D+00
      4  -0.415526D+01  0.618809D+01 -0.540670D+01  0.208167D+01  0.141878D+01
      5   0.102420D+02 -0.531914D+01  0.439914D+02 -0.178407D+01 -0.612097D+00
      6  -0.260200D+01  0.726345D+01 -0.193244D+02 -0.205333D+01  0.859194D+00
               201           202           203           204           205 
      1  -0.318888D+01  0.648310D+00 -0.472823D+01  0.246074D+01 -0.366532D+01
      2   0.147607D+01  0.615762D+00  0.678388D+01 -0.416893D+01  0.100617D+01
      3   0.171281D+01 -0.126407D+01 -0.205565D+01  0.170819D+01  0.265915D+01
      4  -0.195889D+01  0.242385D+01  0.452358D+01 -0.325053D+01 -0.796711D+01
      5   0.430108D+00 -0.888931D+00 -0.300553D+01  0.399956D+01  0.542202D+01
      6  -0.194014D+01 -0.118209D+01 -0.521023D+01  0.676399D+01  0.446937D+01
               206           207           208           209           210 
      1   0.641431D+01 -0.977097D+01  0.636253D+00  0.607717D+01  0.132267D+01
      2  -0.763018D+01  0.220619D+01  0.842771D+00 -0.261308D+01 -0.625506D+00
      3   0.121587D+01  0.756478D+01 -0.147902D+01 -0.346410D+01 -0.697164D+00
      4  -0.101079D+02  0.886327D+01  0.636473D+01 -0.753095D+00 -0.333231D+00
      5   0.906153D+01 -0.217346D+02  0.121162D+01 -0.614521D+00  0.899559D+00
      6   0.131928D+02 -0.264648D+02 -0.375573D-01 -0.785774D-01  0.114482D+01
               211           212           213           214           215 
      1   0.205979D+02 -0.958959D+00 -0.172597D+01  0.234941D+01 -0.553004D+00
      2  -0.118843D+02  0.108924D+01  0.150135D+01 -0.126101D+01  0.444416D+00
      3  -0.871361D+01 -0.130283D+00  0.224620D+00 -0.108840D+01  0.108588D+00
      4  -0.586560D+00  0.321390D+02 -0.427775D+00 -0.403299D+00  0.125394D+01
      5  -0.218008D+01  0.544523D-01  0.689374D+01  0.352440D+01  0.247671D+01
      6   0.378639D+00 -0.104297D+01 -0.103079D+01  0.408191D+00  0.185380D+01
               216 
      1   0.972866D+00
      2  -0.187458D+01
      3   0.901715D+00
      4   0.196490D+01
      5  -0.182130D+01
      6   0.165498D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:36:31 2021, MaxMem=  5368709120 cpu:           29835.6 elap:            3730.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.49894 -19.49811 -19.49408 -19.49272 -19.49135
 Alpha  occ. eigenvalues --  -19.45558 -10.56570 -10.51506 -10.51449 -10.51369
 Alpha  occ. eigenvalues --  -10.51159 -10.48934  -1.23555  -1.19482  -1.18220
 Alpha  occ. eigenvalues --   -1.15927  -1.15680  -1.14059  -0.94010  -0.91901
 Alpha  occ. eigenvalues --   -0.82727  -0.79927  -0.76847  -0.74426  -0.70063
 Alpha  occ. eigenvalues --   -0.68850  -0.66367  -0.64789  -0.63618  -0.62746
 Alpha  occ. eigenvalues --   -0.61018  -0.58305  -0.58064  -0.55882  -0.54381
 Alpha  occ. eigenvalues --   -0.52900  -0.51932  -0.51269  -0.50485  -0.49144
 Alpha  occ. eigenvalues --   -0.47704  -0.45944  -0.44144  -0.42690  -0.42064
 Alpha  occ. eigenvalues --   -0.41347  -0.39611  -0.38611
 Alpha virt. eigenvalues --    0.02790   0.03680   0.04968   0.05465   0.07006
 Alpha virt. eigenvalues --    0.07331   0.08603   0.09112   0.09441   0.10769
 Alpha virt. eigenvalues --    0.11698   0.12488   0.12848   0.13273   0.13740
 Alpha virt. eigenvalues --    0.14465   0.15567   0.16084   0.16340   0.17126
 Alpha virt. eigenvalues --    0.18375   0.18507   0.19079   0.19627   0.19993
 Alpha virt. eigenvalues --    0.20846   0.21413   0.22967   0.23052   0.23649
 Alpha virt. eigenvalues --    0.24535   0.25112   0.25439   0.26663   0.27385
 Alpha virt. eigenvalues --    0.27953   0.28400   0.29083   0.29277   0.29651
 Alpha virt. eigenvalues --    0.30593   0.31304   0.31501   0.32202   0.32656
 Alpha virt. eigenvalues --    0.33270   0.33836   0.34167   0.34812   0.35077
 Alpha virt. eigenvalues --    0.35349   0.35707   0.36276   0.37315   0.37480
 Alpha virt. eigenvalues --    0.37870   0.38265   0.38512   0.38887   0.39623
 Alpha virt. eigenvalues --    0.40013   0.40487   0.41006   0.41271   0.41670
 Alpha virt. eigenvalues --    0.42630   0.42871   0.43346   0.43911   0.44643
 Alpha virt. eigenvalues --    0.45252   0.45679   0.46204   0.46590   0.47303
 Alpha virt. eigenvalues --    0.48009   0.48869   0.49230   0.49752   0.49972
 Alpha virt. eigenvalues --    0.51708   0.51878   0.52450   0.53026   0.53186
 Alpha virt. eigenvalues --    0.54002   0.55097   0.55880   0.56481   0.56695
 Alpha virt. eigenvalues --    0.56885   0.58220   0.58500   0.59038   0.59684
 Alpha virt. eigenvalues --    0.60403   0.60794   0.61010   0.61215   0.61888
 Alpha virt. eigenvalues --    0.63022   0.63641   0.63969   0.64318   0.65040
 Alpha virt. eigenvalues --    0.65496   0.66509   0.66716   0.67613   0.67720
 Alpha virt. eigenvalues --    0.68266   0.69081   0.70090   0.70140   0.70488
 Alpha virt. eigenvalues --    0.71156   0.72310   0.72852   0.73310   0.74288
 Alpha virt. eigenvalues --    0.75458   0.76310   0.76762   0.77556   0.77847
 Alpha virt. eigenvalues --    0.78497   0.80301   0.80857   0.81091   0.81868
 Alpha virt. eigenvalues --    0.83014   0.84046   0.84428   0.84849   0.85937
 Alpha virt. eigenvalues --    0.86078   0.87095   0.88581   0.88996   0.89807
 Alpha virt. eigenvalues --    0.90450   0.91557   0.92401   0.93736   0.95214
 Alpha virt. eigenvalues --    0.97313   0.97864   0.98610   1.00392   1.02172
 Alpha virt. eigenvalues --    1.04249   1.05130   1.06494   1.08586   1.08915
 Alpha virt. eigenvalues --    1.10356   1.11830   1.13030   1.14117   1.15678
 Alpha virt. eigenvalues --    1.17379   1.19340   1.19508   1.20661   1.21981
 Alpha virt. eigenvalues --    1.23209   1.24500   1.27368   1.27657   1.29993
 Alpha virt. eigenvalues --    1.30676   1.32694   1.34266   1.35763   1.37718
 Alpha virt. eigenvalues --    1.38689   1.42820   1.43767   1.44662   1.46031
 Alpha virt. eigenvalues --    1.49110   1.50070   1.52779   1.56143   1.56311
 Alpha virt. eigenvalues --    1.58973   1.59758   1.61132   1.62629   1.63451
 Alpha virt. eigenvalues --    1.63750   1.66079   1.66335   1.68276   1.70065
 Alpha virt. eigenvalues --    1.70729   1.75069   1.75652   1.77809   1.78674
 Alpha virt. eigenvalues --    1.80177   1.82295   1.85875   1.87706   1.88185
 Alpha virt. eigenvalues --    1.90156   1.91692   1.93593   1.95068   1.96309
 Alpha virt. eigenvalues --    1.97870   1.99370   2.00131   2.00460   2.01840
 Alpha virt. eigenvalues --    2.03384   2.04594   2.04918   2.05978   2.07035
 Alpha virt. eigenvalues --    2.08721   2.09984   2.11456   2.12742   2.13627
 Alpha virt. eigenvalues --    2.15222   2.16847   2.17432   2.17776   2.19459
 Alpha virt. eigenvalues --    2.21204   2.23538   2.24264   2.25726   2.26143
 Alpha virt. eigenvalues --    2.27160   2.28096   2.29284   2.30866   2.31071
 Alpha virt. eigenvalues --    2.32858   2.33981   2.36070   2.36645   2.38064
 Alpha virt. eigenvalues --    2.38749   2.39785   2.41554   2.42234   2.42829
 Alpha virt. eigenvalues --    2.43723   2.45652   2.47670   2.49077   2.50994
 Alpha virt. eigenvalues --    2.51682   2.53813   2.55453   2.59367   2.61570
 Alpha virt. eigenvalues --    2.62440   2.65907   2.67115   2.70829   2.74017
 Alpha virt. eigenvalues --    2.77126   2.79145   2.88363   2.94654   2.98080
 Alpha virt. eigenvalues --    3.03140   3.06686   3.08345   3.11172   3.11585
 Alpha virt. eigenvalues --    3.12284   3.13183   3.14478   3.15234   3.15759
 Alpha virt. eigenvalues --    3.17113   3.18950   3.19494   3.21440   3.24484
 Alpha virt. eigenvalues --    3.25625   3.25967   3.28091   3.29013   3.30548
 Alpha virt. eigenvalues --    3.32623   3.34617   3.36514   3.39070   3.55369
 Alpha virt. eigenvalues --    3.60273   3.61108   3.63990   3.65776   3.71711
 Alpha virt. eigenvalues --    3.83718   3.97760   4.00702   4.01958   4.02679
 Alpha virt. eigenvalues --    4.07206
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.449596  -0.234098  -0.252448  -0.283642   0.048014  -0.095787
     2  C   -0.234098   6.435527  -0.021652  -0.087884  -0.100284  -0.345667
     3  C   -0.252448  -0.021652   6.686179   0.000252  -0.321634  -0.123179
     4  C   -0.283642  -0.087884   0.000252   6.795889  -0.366735   0.103141
     5  O    0.048014  -0.100284  -0.321634  -0.366735   9.366135  -0.351552
     6  C   -0.095787  -0.345667  -0.123179   0.103141  -0.351552   5.883274
     7  O    0.266639  -0.113984  -0.274456   0.029224   0.040074   0.005915
     8  H    0.466114  -0.095559  -0.091316  -0.146779   0.056224  -0.058569
     9  O   -0.140476   0.207489  -0.054497  -0.008001   0.071726  -0.103993
    10  H    0.094461   0.342244  -0.084241  -0.031235  -0.066310   0.103660
    11  H   -0.000461  -0.046158   0.392149  -0.008820  -0.160817   0.021059
    12  O   -0.103884  -0.016182   0.015375  -0.146529   0.102762  -0.015685
    13  C    0.053663  -0.022174  -0.260464  -0.058707   0.063337   0.000470
    14  H   -0.081990   0.009799   0.296105   0.392548  -0.172074  -0.059903
    15  O    0.012599  -0.032347  -0.018899  -0.030602   0.010382   0.143398
    16  H   -0.097632   0.129766   0.005756   0.010509  -0.058925   0.436013
    17  H    0.037590  -0.030858   0.073036   0.007665  -0.006231   0.009697
    18  H    0.049172   0.046997   0.006067   0.003842   0.002840  -0.030685
    19  H   -0.034057   0.009355   0.097872   0.034714  -0.000172   0.000937
    20  O    0.010783  -0.003142  -0.026389  -0.114543   0.047355   0.000969
    21  H   -0.001491   0.002312   0.040853   0.003603   0.029594   0.002253
    22  H   -0.010892   0.002867   0.005523   0.154215  -0.096601  -0.002508
    23  H    0.002209  -0.046451   0.000592  -0.006753   0.017339   0.081318
    24  H    0.001429   0.000235  -0.006255  -0.023174  -0.004718   0.001353
               7          8          9         10         11         12
     1  C    0.266639   0.466114  -0.140476   0.094461  -0.000461  -0.103884
     2  C   -0.113984  -0.095559   0.207489   0.342244  -0.046158  -0.016182
     3  C   -0.274456  -0.091316  -0.054497  -0.084241   0.392149   0.015375
     4  C    0.029224  -0.146779  -0.008001  -0.031235  -0.008820  -0.146529
     5  O    0.040074   0.056224   0.071726  -0.066310  -0.160817   0.102762
     6  C    0.005915  -0.058569  -0.103993   0.103660   0.021059  -0.015685
     7  O    7.965727  -0.051209   0.074323  -0.073940  -0.155591   0.093334
     8  H   -0.051209   1.075556  -0.092355   0.027509   0.031746  -0.032323
     9  O    0.074323  -0.092355   8.007017  -0.060649  -0.012665   0.014226
    10  H   -0.073940   0.027509  -0.060649   1.022442  -0.032572  -0.001984
    11  H   -0.155591   0.031746  -0.012665  -0.032572   1.332901  -0.098823
    12  O    0.093334  -0.032323   0.014226  -0.001984  -0.098823   7.944336
    13  C    0.008673   0.008547   0.003542   0.002651  -0.082639   0.071623
    14  H    0.000724  -0.065559  -0.001082  -0.005744   0.049186  -0.067918
    15  O    0.001419   0.006408  -0.014001  -0.025304  -0.001683   0.003151
    16  H    0.007002  -0.036176  -0.059648  -0.004393   0.001025  -0.001311
    17  H    0.220635  -0.002721  -0.017110   0.000941   0.007367  -0.006608
    18  H   -0.000915   0.004278   0.204840  -0.016008   0.000542  -0.000377
    19  H   -0.015415   0.001191   0.000834   0.000772  -0.009819   0.225218
    20  O   -0.001322   0.001787   0.000272  -0.000126   0.019793  -0.008116
    21  H   -0.000125   0.000155  -0.000064   0.000156   0.000931   0.001288
    22  H    0.002005  -0.000720   0.000005  -0.000361  -0.038939  -0.000994
    23  H    0.000851   0.001705   0.016842  -0.017427   0.000203  -0.000065
    24  H    0.000642  -0.000179  -0.000044   0.000151  -0.009228   0.045202
              13         14         15         16         17         18
     1  C    0.053663  -0.081990   0.012599  -0.097632   0.037590   0.049172
     2  C   -0.022174   0.009799  -0.032347   0.129766  -0.030858   0.046997
     3  C   -0.260464   0.296105  -0.018899   0.005756   0.073036   0.006067
     4  C   -0.058707   0.392548  -0.030602   0.010509   0.007665   0.003842
     5  O    0.063337  -0.172074   0.010382  -0.058925  -0.006231   0.002840
     6  C    0.000470  -0.059903   0.143398   0.436013   0.009697  -0.030685
     7  O    0.008673   0.000724   0.001419   0.007002   0.220635  -0.000915
     8  H    0.008547  -0.065559   0.006408  -0.036176  -0.002721   0.004278
     9  O    0.003542  -0.001082  -0.014001  -0.059648  -0.017110   0.204840
    10  H    0.002651  -0.005744  -0.025304  -0.004393   0.000941  -0.016008
    11  H   -0.082639   0.049186  -0.001683   0.001025   0.007367   0.000542
    12  O    0.071623  -0.067918   0.003151  -0.001311  -0.006608  -0.000377
    13  C    4.814485  -0.159399  -0.004606  -0.001002  -0.000136   0.000008
    14  H   -0.159399   1.055190  -0.009485   0.017686   0.000347   0.000838
    15  O   -0.004606  -0.009485   8.041025  -0.053855  -0.000686  -0.000160
    16  H   -0.001002   0.017686  -0.053855   0.927767   0.000480  -0.002586
    17  H   -0.000136   0.000347  -0.000686   0.000480   0.515648   0.001804
    18  H    0.000008   0.000838  -0.000160  -0.002586   0.001804   0.516089
    19  H   -0.007161  -0.001726  -0.000209   0.000125   0.001785  -0.000026
    20  O    0.290595  -0.032118   0.000987  -0.000205  -0.000017  -0.000010
    21  H    0.253150   0.005164  -0.001209   0.000496  -0.000004  -0.000002
    22  H    0.332166   0.014837  -0.001833   0.000680  -0.000003   0.000008
    23  H    0.000757  -0.000963   0.177877  -0.002239   0.000006  -0.000281
    24  H    0.017998   0.007739  -0.000080   0.000193  -0.000020  -0.000001
              19         20         21         22         23         24
     1  C   -0.034057   0.010783  -0.001491  -0.010892   0.002209   0.001429
     2  C    0.009355  -0.003142   0.002312   0.002867  -0.046451   0.000235
     3  C    0.097872  -0.026389   0.040853   0.005523   0.000592  -0.006255
     4  C    0.034714  -0.114543   0.003603   0.154215  -0.006753  -0.023174
     5  O   -0.000172   0.047355   0.029594  -0.096601   0.017339  -0.004718
     6  C    0.000937   0.000969   0.002253  -0.002508   0.081318   0.001353
     7  O   -0.015415  -0.001322  -0.000125   0.002005   0.000851   0.000642
     8  H    0.001191   0.001787   0.000155  -0.000720   0.001705  -0.000179
     9  O    0.000834   0.000272  -0.000064   0.000005   0.016842  -0.000044
    10  H    0.000772  -0.000126   0.000156  -0.000361  -0.017427   0.000151
    11  H   -0.009819   0.019793   0.000931  -0.038939   0.000203  -0.009228
    12  O    0.225218  -0.008116   0.001288  -0.000994  -0.000065   0.045202
    13  C   -0.007161   0.290595   0.253150   0.332166   0.000757   0.017998
    14  H   -0.001726  -0.032118   0.005164   0.014837  -0.000963   0.007739
    15  O   -0.000209   0.000987  -0.001209  -0.001833   0.177877  -0.000080
    16  H    0.000125  -0.000205   0.000496   0.000680  -0.002239   0.000193
    17  H    0.001785  -0.000017  -0.000004  -0.000003   0.000006  -0.000020
    18  H   -0.000026  -0.000010  -0.000002   0.000008  -0.000281  -0.000001
    19  H    0.522968  -0.004652  -0.000297   0.002981   0.000015  -0.005187
    20  O   -0.004652   7.794036  -0.006267  -0.044931   0.000052   0.318571
    21  H   -0.000297  -0.006267   0.785205  -0.053082   0.000117   0.003835
    22  H    0.002981  -0.044931  -0.053082   0.802590   0.000021   0.003022
    23  H    0.000015   0.000052   0.000117   0.000021   0.540854   0.000003
    24  H   -0.005187   0.318571   0.003835   0.003022   0.000003   0.472269
 Mulliken charges:
               1
     1  C   -0.155413
     2  C    0.009849
     3  C   -0.084330
     4  C   -0.222196
     5  O   -0.149730
     6  C    0.394071
     7  O   -0.030227
     8  H   -0.007754
     9  O   -0.036531
    10  H   -0.174693
    11  H   -0.198686
    12  O   -0.015715
    13  C    0.674624
    14  H   -0.192205
    15  O   -0.202287
    16  H   -0.219525
    17  H    0.187393
    18  H    0.213728
    19  H    0.179956
    20  O   -0.243359
    21  H   -0.066571
    22  H   -0.070058
    23  H    0.233417
    24  H    0.176241
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.163167
     2  C   -0.164844
     3  C   -0.283017
     4  C   -0.414401
     5  O   -0.149730
     6  C    0.174546
     7  O    0.157166
     9  O    0.177196
    12  O    0.164242
    13  C    0.537996
    15  O    0.031130
    20  O   -0.067118
 Electronic spatial extent (au):  <R**2>=           2206.3983
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.0229    Y=              0.9429    Z=              1.4158  Tot=              3.4687
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -81.5127   YY=            -72.9650   ZZ=            -69.7188
   XY=              2.5269   XZ=              0.0287   YZ=             -3.1193
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.7805   YY=              1.7671   ZZ=              5.0134
   XY=              2.5269   XZ=              0.0287   YZ=             -3.1193
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -71.9924  YYY=             23.6668  ZZZ=              2.4507  XYY=              6.1143
  XXY=             12.9563  XXZ=             20.1022  XZZ=             -5.9615  YZZ=             -7.3476
  YYZ=              3.3944  XYZ=              6.6069
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1784.9646 YYYY=           -872.4921 ZZZZ=           -141.4559 XXXY=             72.4369
 XXXZ=              5.9180 YYYX=            -19.9655 YYYZ=            -31.8789 ZZZX=             -4.2398
 ZZZY=             -6.2537 XXYY=           -399.1887 XXZZ=           -298.1680 YYZZ=           -168.6472
 XXYZ=            -17.2825 YYXZ=            -12.1446 ZZXY=             17.2585
 N-N= 8.278206295350D+02 E-N=-3.262455698343D+03  KE= 6.792309073652D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:36:31 2021, MaxMem=  5368709120 cpu:               2.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.13522586D+00 3.98649781D-01 5.37424069D-01
 Polarizability= 1.05978568D+02 1.14144168D+00 9.45385685D+01
                -2.54044739D-01-1.48328991D+00 7.80443162D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.1130    0.1161        0.4238    0.4228
 2     -0.1130   -0.1161        0.7467    0.7464       -5.4791   -5.4755
 3     -0.4238   -0.4228       13.4169   13.4440       -0.7485   -0.7464
 4     -0.7467   -0.7464        0.0000    0.0000       -0.4234   -0.4228
 5     -7.9378   -7.9686        0.4234    0.4228        0.1150    0.1161
 6      0.7485    0.7464       -0.1150   -0.1161       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.3482   -0.3482        1.2685    1.2685
 2     -2.2391   -2.2391        0.0000    0.0000        1.2685    1.2685
 3     -2.2391   -2.2391       -0.3482   -0.3482       -0.0000    0.0000
 4     -0.3482   -0.3482        2.2391    2.2391      -16.4264  -16.4264
 5     -1.2685   -1.2685       40.3321   40.3321       -2.2391   -2.2391
 6    -23.9058  -23.9058        1.2685    1.2685        0.3482    0.3482
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2568    0.0000       -0.6177   -0.4642       -1.9782   -1.6913
 2      0.1080    0.4642       -2.8476   -2.9855       22.0745   21.9018
 3      1.4812    1.6913      -54.2371  -53.7761        3.0428    2.9855
 4      2.9650    2.9855        0.1676    0.0000        1.6151    1.6913
 5     32.2659   31.8743       -1.7336   -1.6913       -0.4332   -0.4642
 6     -3.0127   -2.9855        0.4573    0.4642        0.0642    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0815    0.0000        0.8964    0.5209        7.1247    7.5410
 2     -0.8831   -0.5209       -5.3961   -5.5057       -2.3207   -2.6881
 3     -7.5257   -7.5410        4.2664    5.1257        5.2440    5.5057
 4      5.6160    5.5057       -0.0485    0.0000       -7.5066   -7.5410
 5     -2.7211   -2.4376        7.4529    7.5410        1.4543    0.5209
 6     -5.7368   -5.5057       -0.8794   -0.5209        0.3839    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -17.5952  -17.3607        7.8525    8.3677      -19.9103  -20.3537
 2    -14.9553  -15.0853       11.3161   11.2268      -20.5092  -20.3537
 3    -15.0786  -15.0853        8.1399    8.3677      -26.4305  -26.6818
 4     -3.2119   -2.8591       -2.1446   -2.2754       -1.4170   -1.4146
 5     -6.2600   -6.3281        6.2462    6.7688        1.2165    2.2754
 6     -6.0733   -5.3542        6.0786    6.3281        3.8742    2.8591
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.6732   -2.7070    0.0003    0.0006    0.0010    6.4737
 Low frequencies ---   67.8553  106.8782  118.5166
 Diagonal vibrational polarizability:
       65.1609274      43.8493010      55.7031364
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     67.8544               106.8782               118.5160
 Red. masses --      7.1080                 4.8062                 5.5030
 Frc consts  --      0.0193                 0.0323                 0.0455
 IR Inten    --      0.6705                 1.1044                 3.0340
 RamAct Fr= 1--      0.0265                 0.0271                 0.0113
  Dep-P Fr= 1--      0.7478                 0.7289                 0.5362
  Dep-U Fr= 1--      0.8557                 0.8432                 0.6981
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0038                 0.0038                 0.0013
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0001
 Gamma2 Fr= 1--     -0.0002                 0.0621                -0.0133
 Delta2 Fr= 1--      0.0127                 0.0336                -0.0173
 Raman1 Fr= 1--       0.106                  0.108                  0.045
 ROA1   Fr= 1--       0.383                  7.031                 -1.834
 CID1   Fr= 1--       3.619                 64.910                -40.440
 Raman2 Fr= 1--       0.045                  0.046                  0.016
 ROA2   Fr= 1--      -0.107                  1.221                 -0.181
 CID2   Fr= 1--      -2.364                 26.735                -11.458
 Raman3 Fr= 1--       0.091                  0.091                  0.032
 ROA3   Fr= 1--       0.383                  7.031                 -1.834
 CID3   Fr= 1--       4.230                 76.982                -57.931
 RC180  Fr= 1--       0.711                  0.686                  0.396
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.02     0.03  -0.03  -0.08     0.01   0.02   0.05
     2   6     0.03  -0.01   0.09     0.02   0.01  -0.00    -0.03   0.01  -0.08
     3   6     0.03   0.01  -0.14    -0.02  -0.06   0.02     0.03  -0.03  -0.07
     4   6     0.02  -0.02  -0.09    -0.00  -0.00  -0.11    -0.02  -0.03  -0.09
     5   8    -0.00  -0.02  -0.15     0.01  -0.05  -0.17    -0.01  -0.00  -0.01
     6   6    -0.02   0.03  -0.07    -0.05  -0.02   0.00    -0.03  -0.04   0.04
     7   8     0.03  -0.00  -0.00     0.04   0.02  -0.21     0.05  -0.06   0.27
     8   1    -0.13  -0.02  -0.02     0.07  -0.13  -0.09    -0.03   0.18   0.06
     9   8    -0.06   0.02   0.31    -0.01   0.02   0.08     0.05   0.02  -0.26
    10   1     0.20  -0.09   0.10     0.09   0.04   0.00    -0.17   0.05  -0.08
    11   1     0.13   0.09  -0.14    -0.13  -0.19   0.02     0.12  -0.03  -0.07
    12   8    -0.02  -0.01  -0.30     0.02   0.01   0.25    -0.02  -0.01  -0.15
    13   6    -0.05  -0.03   0.08    -0.01  -0.06  -0.15    -0.02  -0.06  -0.12
    14   1     0.11  -0.03  -0.08    -0.01   0.10  -0.11    -0.08  -0.03  -0.09
    15   8    -0.00  -0.00  -0.13    -0.01   0.02   0.19    -0.01   0.01   0.21
    16   1    -0.07   0.14  -0.07    -0.22  -0.07   0.00    -0.10  -0.15   0.04
    17   1    -0.01  -0.03   0.12     0.02  -0.02  -0.20     0.10   0.07   0.22
    18   1    -0.01  -0.02   0.30    -0.03   0.07   0.18    -0.03   0.10  -0.19
    19   1     0.01  -0.00  -0.27    -0.09  -0.01   0.21     0.03  -0.02  -0.05
    20   8     0.06   0.05   0.36     0.01   0.13   0.10    -0.00   0.14   0.15
    21   1     0.02  -0.01  -0.01     0.06  -0.00  -0.39     0.07  -0.00  -0.36
    22   1    -0.26  -0.14   0.09    -0.11  -0.33  -0.12    -0.14  -0.33  -0.09
    23   1     0.08  -0.13  -0.16     0.16   0.04   0.17     0.01   0.17   0.23
    24   1    -0.04   0.04   0.28    -0.06   0.11   0.27    -0.14   0.12   0.20
                      4                      5                      6
                      A                      A                      A
 Frequencies --    164.5387               209.8577               231.1682
 Red. masses --      4.6463                 3.1841                 3.0105
 Frc consts  --      0.0741                 0.0826                 0.0948
 IR Inten    --      6.7103                 3.2488                14.5537
 RamAct Fr= 1--      0.0833                 0.1445                 0.1703
  Dep-P Fr= 1--      0.3184                 0.6074                 0.7292
  Dep-U Fr= 1--      0.4830                 0.7558                 0.8434
 Alpha2 Fr= 1--      0.0008                 0.0004                 0.0001
 Beta2  Fr= 1--      0.0067                 0.0182                 0.0239
 AlphaG Fr= 1--     -0.0004                -0.0023                 0.0008
 Gamma2 Fr= 1--     -0.0032                -0.0247                 0.0234
 Delta2 Fr= 1--     -0.0309                 0.0224                 0.0334
 Raman1 Fr= 1--       0.333                  0.578                  0.681
 ROA1   Fr= 1--      -1.299                 -1.657                  3.320
 CID1   Fr= 1--      -3.899                 -2.867                  4.875
 Raman2 Fr= 1--       0.080                  0.218                  0.287
 ROA2   Fr= 1--       0.170                 -0.773                  0.295
 CID2   Fr= 1--       2.115                 -3.542                  1.029
 Raman3 Fr= 1--       0.161                  0.437                  0.574
 ROA3   Fr= 1--      -1.299                 -1.657                  3.320
 CID3   Fr= 1--      -8.071                 -3.794                  5.781
 RC180  Fr= 1--      -0.034                  0.512                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.06   0.02     0.01   0.00  -0.05     0.04  -0.05   0.01
     2   6    -0.00  -0.01   0.06     0.02   0.00  -0.04     0.03  -0.03  -0.02
     3   6     0.03  -0.07   0.04    -0.04  -0.07  -0.05     0.03  -0.00   0.03
     4   6    -0.03  -0.10   0.08     0.01  -0.06  -0.01    -0.00  -0.01   0.04
     5   8    -0.04  -0.03   0.21    -0.01  -0.10  -0.12    -0.02  -0.02  -0.01
     6   6     0.01  -0.00   0.05    -0.03  -0.02  -0.04    -0.04  -0.05  -0.03
     7   8     0.13   0.00  -0.08     0.12  -0.02   0.07    -0.16  -0.09  -0.03
     8   1     0.05  -0.14   0.02    -0.02   0.07  -0.04     0.08  -0.07   0.01
     9   8     0.03   0.02   0.03    -0.01  -0.02   0.01     0.10   0.25   0.00
    10   1    -0.02   0.00   0.06     0.06   0.00  -0.04     0.02  -0.06  -0.02
    11   1     0.06  -0.02   0.04    -0.09  -0.09  -0.05     0.05   0.04   0.03
    12   8    -0.00  -0.07  -0.03     0.01  -0.09   0.03     0.05  -0.04  -0.04
    13   6     0.05  -0.03  -0.08     0.03   0.17   0.17     0.01   0.03   0.04
    14   1    -0.16  -0.15   0.07     0.15  -0.10  -0.01     0.03   0.00   0.04
    15   8    -0.09  -0.00  -0.18    -0.08   0.06   0.05     0.01  -0.07   0.02
    16   1     0.19   0.07   0.05    -0.10  -0.05  -0.04    -0.05  -0.07  -0.03
    17   1     0.18   0.08  -0.16     0.15   0.11   0.09    -0.33  -0.42   0.21
    18   1     0.04  -0.02  -0.12     0.02  -0.04   0.04    -0.18   0.55   0.27
    19   1    -0.05  -0.06  -0.11     0.05  -0.09   0.09     0.13  -0.02  -0.00
    20   8    -0.10   0.29  -0.02    -0.05   0.11  -0.06    -0.04   0.06  -0.02
    21   1     0.21   0.03  -0.30     0.15   0.10   0.52     0.05   0.02   0.09
    22   1     0.09  -0.25  -0.07     0.03   0.54   0.14     0.04   0.08   0.04
    23   1    -0.34  -0.03  -0.15    -0.01   0.08   0.05     0.14  -0.13  -0.01
    24   1    -0.33   0.25   0.05    -0.10   0.12  -0.20    -0.09   0.06  -0.07
                      7                      8                      9
                      A                      A                      A
 Frequencies --    248.9065               283.5834               296.9521
 Red. masses --      2.5540                 2.0853                 3.8093
 Frc consts  --      0.0932                 0.0988                 0.1979
 IR Inten    --      0.9732                24.0543                 4.7254
 RamAct Fr= 1--      0.4946                 0.3233                 0.4759
  Dep-P Fr= 1--      0.6955                 0.6768                 0.6899
  Dep-U Fr= 1--      0.8204                 0.8072                 0.8165
 Alpha2 Fr= 1--      0.0005                 0.0004                 0.0005
 Beta2  Fr= 1--      0.0676                 0.0435                 0.0648
 AlphaG Fr= 1--     -0.0001                 0.0003                 0.0010
 Gamma2 Fr= 1--     -0.1188                 0.1417                -0.0163
 Delta2 Fr= 1--     -0.1406                 0.1341                 0.0556
 Raman1 Fr= 1--       1.979                  1.293                  1.904
 ROA1   Fr= 1--     -15.909                 17.897                  0.214
 CID1   Fr= 1--      -8.041                 13.837                  0.112
 Raman2 Fr= 1--       0.812                  0.522                  0.777
 ROA2   Fr= 1--      -1.727                  2.328                 -0.836
 CID2   Fr= 1--      -2.128                  4.460                 -1.075
 Raman3 Fr= 1--       1.623                  1.044                  1.554
 ROA3   Fr= 1--     -15.909                 17.897                  0.214
 CID3   Fr= 1--      -9.800                 17.141                  0.138
 RC180  Fr= 1--       0.641                  0.614                  0.633
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.05    -0.01   0.08  -0.04    -0.01  -0.01  -0.18
     2   6    -0.08   0.01   0.05    -0.00   0.03  -0.03    -0.02  -0.01  -0.13
     3   6    -0.02  -0.03   0.01    -0.01   0.02  -0.02    -0.01  -0.03  -0.18
     4   6     0.00   0.00  -0.00    -0.05   0.01   0.00     0.01  -0.04  -0.08
     5   8    -0.01   0.02  -0.03    -0.02   0.03   0.04    -0.03   0.12   0.18
     6   6    -0.04   0.00   0.02     0.02   0.02  -0.01     0.00  -0.04  -0.03
     7   8     0.17   0.02  -0.01    -0.01   0.06   0.01     0.09  -0.10   0.06
     8   1    -0.04  -0.09   0.04    -0.02   0.11  -0.03    -0.08   0.13  -0.17
     9   8    -0.02   0.09  -0.06    -0.04  -0.07  -0.01    -0.09   0.07   0.08
    10   1    -0.16   0.01   0.04     0.02   0.05  -0.03     0.13   0.02  -0.12
    11   1     0.01  -0.05   0.02    -0.05   0.03  -0.02    -0.16  -0.13  -0.18
    12   8    -0.11   0.05  -0.00     0.13  -0.12   0.01    -0.00   0.09   0.10
    13   6    -0.01   0.01   0.03    -0.06  -0.00  -0.02     0.00   0.00  -0.01
    14   1     0.03   0.01  -0.00    -0.07  -0.02   0.00    -0.05  -0.25  -0.09
    15   8     0.11  -0.13  -0.00     0.07  -0.03  -0.00     0.04  -0.07  -0.02
    16   1    -0.07   0.07   0.02     0.04   0.03  -0.01     0.14  -0.18  -0.02
    17   1     0.30   0.26  -0.19    -0.05   0.02   0.12    -0.01  -0.10   0.38
    18   1    -0.18   0.28   0.14    -0.04  -0.02   0.26    -0.13   0.14   0.23
    19   1    -0.30   0.03  -0.15     0.38  -0.08   0.18    -0.04   0.02   0.34
    20   8    -0.02  -0.03  -0.01    -0.07   0.03   0.01     0.03  -0.02   0.01
    21   1    -0.01  -0.01   0.09    -0.06   0.01  -0.05     0.03  -0.01   0.06
    22   1    -0.01   0.07   0.03    -0.07  -0.04  -0.01    -0.06   0.07  -0.02
    23   1     0.44  -0.43  -0.10     0.58  -0.48  -0.14    -0.24   0.22   0.07
    24   1     0.01  -0.02  -0.03    -0.13   0.02  -0.01     0.09  -0.02   0.09
                     10                     11                     12
                      A                      A                      A
 Frequencies --    330.3392               337.7996               372.3144
 Red. masses --      1.9277                 5.5535                 1.3552
 Frc consts  --      0.1239                 0.3734                 0.1107
 IR Inten    --     56.4263                 3.4468                80.4127
 RamAct Fr= 1--      0.3678                 4.0721                 0.8370
  Dep-P Fr= 1--      0.1497                 0.3878                 0.4965
  Dep-U Fr= 1--      0.2604                 0.5589                 0.6635
 Alpha2 Fr= 1--      0.0057                 0.0315                 0.0042
 Beta2  Fr= 1--      0.0160                 0.3793                 0.0926
 AlphaG Fr= 1--     -0.0076                -0.0081                 0.0027
 Gamma2 Fr= 1--      0.1248                 0.0175                 0.0369
 Delta2 Fr= 1--      0.1609                 0.1990                 0.1665
 Raman1 Fr= 1--       1.471                 16.289                  3.348
 ROA1   Fr= 1--      17.133                  8.053                  8.870
 CID1   Fr= 1--      11.645                  0.494                  2.649
 Raman2 Fr= 1--       0.192                  4.552                  1.111
 ROA2   Fr= 1--       1.708                 -1.171                 -0.447
 CID2   Fr= 1--       8.918                 -0.257                 -0.402
 Raman3 Fr= 1--       0.383                  9.103                  2.221
 ROA3   Fr= 1--      17.133                  8.053                  8.870
 CID3   Fr= 1--      44.715                  0.885                  3.993
 RC180  Fr= 1--      -0.479                  0.118                  0.327
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.03    -0.11  -0.02   0.04    -0.01  -0.01   0.03
     2   6     0.04   0.01  -0.02    -0.17   0.05   0.07    -0.01   0.01   0.07
     3   6     0.00  -0.01  -0.01    -0.07  -0.09  -0.01    -0.01  -0.02  -0.01
     4   6     0.03  -0.04   0.02     0.05  -0.02  -0.04    -0.01   0.00  -0.04
     5   8    -0.00  -0.03   0.03     0.00   0.02   0.04     0.01  -0.00  -0.02
     6   6     0.02   0.03  -0.01    -0.06   0.07   0.07     0.00   0.02   0.05
     7   8     0.01  -0.03  -0.00    -0.06   0.02  -0.03     0.06   0.04  -0.06
     8   1     0.03   0.00  -0.03    -0.15  -0.07   0.03    -0.06  -0.07   0.02
     9   8     0.03  -0.06  -0.03    -0.14   0.05  -0.06     0.02  -0.00  -0.03
    10   1     0.05   0.01  -0.02    -0.27   0.10   0.06    -0.08   0.03   0.07
    11   1    -0.01  -0.00  -0.01    -0.06  -0.14  -0.01     0.02  -0.05  -0.01
    12   8    -0.08   0.09   0.01     0.00  -0.19   0.00    -0.02   0.00   0.00
    13   6     0.04  -0.04   0.01     0.22   0.08  -0.07    -0.03   0.01   0.00
    14   1     0.02  -0.07   0.03    -0.02  -0.03  -0.04    -0.01  -0.01  -0.04
    15   8    -0.10   0.14   0.00    -0.07   0.04  -0.03     0.03  -0.02  -0.01
    16   1     0.06   0.04  -0.01    -0.03   0.16   0.07    -0.03   0.09   0.05
    17   1    -0.16  -0.23   0.35    -0.11  -0.04   0.07    -0.30  -0.37   0.73
    18   1    -0.04   0.09   0.40    -0.23   0.17   0.13     0.08  -0.12  -0.32
    19   1    -0.26   0.06  -0.12     0.19  -0.16   0.13     0.05  -0.01   0.15
    20   8     0.01  -0.01  -0.01     0.35   0.02   0.02    -0.02  -0.01   0.01
    21   1     0.05  -0.04  -0.03     0.24   0.08  -0.05    -0.03   0.00   0.05
    22   1     0.07  -0.07   0.01     0.19   0.10  -0.08    -0.07   0.06  -0.00
    23   1     0.48  -0.43  -0.17     0.03  -0.18  -0.08    -0.10   0.03   0.02
    24   1     0.02  -0.01   0.04     0.37   0.02  -0.01    -0.03  -0.01  -0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    393.1700               398.2934               404.0285
 Red. masses --      2.8965                 1.4087                 1.2721
 Frc consts  --      0.2638                 0.1317                 0.1224
 IR Inten    --      0.9543                80.3503               176.2038
 RamAct Fr= 1--      0.5295                 0.7265                 0.7559
  Dep-P Fr= 1--      0.6251                 0.7281                 0.5416
  Dep-U Fr= 1--      0.7693                 0.8427                 0.7027
 Alpha2 Fr= 1--      0.0012                 0.0003                 0.0030
 Beta2  Fr= 1--      0.0679                 0.1020                 0.0885
 AlphaG Fr= 1--      0.0027                 0.0007                 0.0020
 Gamma2 Fr= 1--      0.5045                -0.3742                -0.2142
 Delta2 Fr= 1--      0.1888                -0.4086                -0.2200
 Raman1 Fr= 1--       2.118                  2.906                  3.024
 ROA1   Fr= 1--      54.474                -48.998                -27.606
 CID1   Fr= 1--      25.720                -16.862                 -9.130
 Raman2 Fr= 1--       0.815                  1.224                  1.062
 ROA2   Fr= 1--      10.597                 -5.712                 -3.382
 CID2   Fr= 1--      13.008                 -4.665                 -3.183
 Raman3 Fr= 1--       1.629                  2.449                  2.125
 ROA3   Fr= 1--      54.474                -48.998                -27.606
 CID3   Fr= 1--      33.434                -20.010                -12.993
 RC180  Fr= 1--       0.539                  0.685                  0.405
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.02     0.02  -0.05   0.01    -0.01   0.02   0.02
     2   6     0.06  -0.01   0.14    -0.03   0.00   0.00     0.00  -0.01  -0.00
     3   6     0.01  -0.00  -0.13     0.04  -0.00   0.01    -0.02   0.01   0.03
     4   6    -0.05  -0.02  -0.16     0.05  -0.01   0.03     0.00   0.01   0.03
     5   8     0.02  -0.04   0.04    -0.02   0.04  -0.02     0.03  -0.03  -0.02
     6   6    -0.01  -0.01   0.13    -0.03   0.03  -0.01     0.02  -0.02  -0.00
     7   8    -0.06  -0.01   0.01    -0.01  -0.06  -0.01     0.03   0.05  -0.02
     8   1    -0.15  -0.03   0.01     0.05  -0.07   0.01     0.02   0.00   0.02
     9   8     0.15  -0.02  -0.04    -0.03   0.01   0.01     0.01  -0.05  -0.04
    10   1    -0.00   0.09   0.14    -0.03  -0.01   0.00    -0.01  -0.00  -0.00
    11   1     0.04  -0.16  -0.13     0.08   0.02   0.00     0.01   0.04   0.03
    12   8     0.03   0.07   0.04    -0.02   0.06  -0.05    -0.05   0.01  -0.04
    13   6    -0.08   0.09  -0.03     0.04  -0.04   0.03     0.00  -0.02   0.00
    14   1    -0.13  -0.14  -0.17     0.09  -0.02   0.03     0.02   0.05   0.03
    15   8    -0.09  -0.02  -0.05    -0.02   0.02   0.02     0.01  -0.01  -0.02
    16   1    -0.01   0.11   0.12    -0.05   0.03  -0.01     0.01  -0.01  -0.00
    17   1     0.12   0.16  -0.41     0.06   0.01  -0.17     0.00   0.03   0.05
    18   1     0.04   0.12   0.10     0.08  -0.16  -0.32    -0.20   0.28   0.64
    19   1     0.10   0.01   0.37     0.33  -0.02   0.76     0.21  -0.02   0.46
    20   8     0.01  -0.02   0.03    -0.01   0.01  -0.01    -0.01  -0.01  -0.00
    21   1    -0.04   0.04   0.17     0.05  -0.04   0.01    -0.02  -0.01  -0.04
    22   1    -0.23   0.27  -0.04     0.07  -0.05   0.03     0.03  -0.06   0.01
    23   1    -0.07  -0.30  -0.10     0.21  -0.14  -0.04    -0.30   0.27   0.07
    24   1     0.10  -0.01   0.03    -0.09   0.00  -0.06    -0.06  -0.01  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    420.9287               446.3458               478.9638
 Red. masses --      5.0904                 3.3305                 4.6820
 Frc consts  --      0.5314                 0.3909                 0.6328
 IR Inten    --      7.6571                21.1170                 4.8787
 RamAct Fr= 1--      4.7128                 3.2328                 8.9316
  Dep-P Fr= 1--      0.4721                 0.2878                 0.0777
  Dep-U Fr= 1--      0.6414                 0.4470                 0.1442
 Alpha2 Fr= 1--      0.0264                 0.0344                 0.1651
 Beta2  Fr= 1--      0.5038                 0.2408                 0.2147
 AlphaG Fr= 1--     -0.0006                 0.0034                -0.0052
 Gamma2 Fr= 1--      0.4581                -0.4806                -0.1160
 Delta2 Fr= 1--      0.1294                -0.1203                -0.2215
 Raman1 Fr= 1--      18.851                 12.931                 35.726
 ROA1   Fr= 1--      48.113                -49.991                -18.227
 CID1   Fr= 1--       2.552                 -3.866                 -0.510
 Raman2 Fr= 1--       6.046                  2.890                  2.577
 ROA2   Fr= 1--       9.958                -10.573                 -1.012
 CID2   Fr= 1--       1.647                 -3.658                 -0.393
 Raman3 Fr= 1--      12.091                  5.780                  5.153
 ROA3   Fr= 1--      48.113                -49.991                -18.227
 CID3   Fr= 1--       3.979                 -8.648                 -3.537
 RC180  Fr= 1--       0.283                 -0.106                 -0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.08   0.05     0.00  -0.10   0.04    -0.04   0.13  -0.03
     2   6    -0.06  -0.09   0.01    -0.07   0.03   0.09    -0.05   0.08   0.04
     3   6     0.15   0.12   0.07     0.08  -0.07  -0.04     0.07   0.04  -0.13
     4   6    -0.00   0.13   0.02     0.07  -0.04  -0.07     0.10  -0.17   0.04
     5   8    -0.09   0.11  -0.04     0.01   0.14  -0.04    -0.00  -0.15  -0.06
     6   6    -0.17  -0.08  -0.01     0.01   0.16   0.04    -0.06  -0.02   0.08
     7   8     0.11  -0.06  -0.03    -0.06  -0.12  -0.01    -0.09   0.16   0.04
     8   1     0.11  -0.13   0.05    -0.05  -0.16   0.03    -0.17   0.19  -0.03
     9   8    -0.07  -0.12  -0.04    -0.05  -0.07  -0.06    -0.08   0.02  -0.03
    10   1    -0.10  -0.10   0.00    -0.14   0.10   0.09    -0.08   0.21   0.04
    11   1     0.21   0.20   0.06     0.12  -0.16  -0.04     0.03   0.05  -0.13
    12   8     0.21   0.11  -0.01     0.07  -0.02   0.04     0.12   0.15   0.03
    13   6    -0.00   0.08  -0.00    -0.01  -0.05   0.06     0.14  -0.17   0.10
    14   1    -0.00   0.21   0.03     0.15  -0.09  -0.07     0.25  -0.29   0.04
    15   8    -0.20  -0.12  -0.00     0.12   0.10  -0.02    -0.01  -0.13  -0.02
    16   1    -0.25  -0.10  -0.01    -0.03   0.29   0.03    -0.13   0.06   0.08
    17   1     0.01  -0.16   0.22    -0.02  -0.14  -0.15    -0.12   0.09   0.05
    18   1    -0.14   0.02   0.33    -0.15   0.12   0.39    -0.05  -0.01  -0.04
    19   1     0.11   0.15  -0.28    -0.14  -0.00  -0.31    -0.11   0.12  -0.16
    20   8     0.05   0.02  -0.01    -0.11   0.02  -0.01    -0.04   0.03  -0.05
    21   1    -0.04   0.07   0.01     0.05  -0.07   0.14     0.26  -0.15   0.04
    22   1     0.01   0.10  -0.01    -0.05   0.04   0.05     0.25  -0.19   0.10
    23   1    -0.20  -0.16  -0.01    -0.14   0.34   0.05    -0.20  -0.07   0.02
    24   1     0.17   0.03   0.08    -0.23   0.01  -0.12    -0.04   0.01   0.27
                     19                     20                     21
                      A                      A                      A
 Frequencies --    500.6743               551.3522               598.3011
 Red. masses --      1.1298                 3.0665                 5.0855
 Frc consts  --      0.1669                 0.5492                 1.0726
 IR Inten    --    134.8776                32.3786                 2.8241
 RamAct Fr= 1--      0.8214                 0.7303                 0.7204
  Dep-P Fr= 1--      0.4849                 0.2073                 0.2517
  Dep-U Fr= 1--      0.6531                 0.3434                 0.4021
 Alpha2 Fr= 1--      0.0043                 0.0097                 0.0085
 Beta2  Fr= 1--      0.0894                 0.0418                 0.0483
 AlphaG Fr= 1--      0.0007                 0.0044                 0.0082
 Gamma2 Fr= 1--     -0.5450                -0.0188                -0.0978
 Delta2 Fr= 1--     -0.4119                 0.0219                -0.0868
 Raman1 Fr= 1--       3.286                  2.921                  2.882
 ROA1   Fr= 1--     -65.497                 -1.107                -12.166
 CID1   Fr= 1--     -19.934                 -0.379                 -4.222
 Raman2 Fr= 1--       1.073                  0.502                  0.579
 ROA2   Fr= 1--      -9.784                 -0.628                 -1.652
 CID2   Fr= 1--      -9.119                 -1.252                 -2.851
 Raman3 Fr= 1--       2.146                  1.003                  1.159
 ROA3   Fr= 1--     -65.497                 -1.107                -12.166
 CID3   Fr= 1--     -30.522                 -1.104                -10.498
 RC180  Fr= 1--       0.306                 -0.313                 -0.196
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02  -0.00     0.05   0.02   0.20    -0.13  -0.07   0.07
     2   6    -0.00   0.00   0.01    -0.01  -0.06  -0.08    -0.14  -0.11   0.00
     3   6    -0.01  -0.01  -0.00     0.11  -0.09   0.04     0.00   0.06  -0.04
     4   6    -0.00   0.01   0.01    -0.01  -0.11  -0.13     0.07   0.08  -0.03
     5   8     0.00   0.00  -0.01    -0.05   0.03   0.07     0.25  -0.13   0.03
     6   6     0.01   0.02   0.00     0.02  -0.05  -0.14     0.19  -0.11   0.02
     7   8     0.01  -0.02  -0.00    -0.05   0.16  -0.04     0.04  -0.03  -0.03
     8   1    -0.01  -0.03  -0.00     0.18   0.01   0.20    -0.27  -0.16   0.05
     9   8     0.00  -0.00  -0.00    -0.05  -0.01   0.02    -0.17   0.12  -0.01
    10   1    -0.01   0.00   0.01    -0.07  -0.34  -0.09    -0.29  -0.28  -0.02
    11   1    -0.01   0.01   0.00     0.35  -0.31   0.03     0.03   0.09  -0.04
    12   8    -0.01  -0.03  -0.02    -0.01   0.03  -0.01     0.13   0.05   0.01
    13   6    -0.01   0.02   0.01    -0.01   0.02  -0.01    -0.07   0.02  -0.02
    14   1     0.03   0.02   0.02    -0.10  -0.20  -0.13     0.04   0.08  -0.03
    15   8     0.02   0.01  -0.00     0.01   0.03   0.03    -0.07   0.14   0.01
    16   1     0.00   0.03   0.00     0.10  -0.20  -0.13     0.34  -0.17   0.02
    17   1     0.01  -0.01  -0.00    -0.10  -0.05  -0.08     0.06   0.08   0.04
    18   1    -0.00   0.01   0.01    -0.03  -0.02   0.03    -0.27   0.18  -0.16
    19   1     0.03  -0.04   0.07    -0.11  -0.02   0.06     0.16   0.07  -0.04
    20   8    -0.04   0.01  -0.05     0.00   0.00   0.00    -0.09  -0.03   0.01
    21   1    -0.00   0.02   0.01     0.13  -0.03   0.25    -0.16   0.02  -0.06
    22   1     0.03   0.02   0.01    -0.15   0.26  -0.02    -0.12  -0.04  -0.01
    23   1     0.00   0.03   0.00     0.16   0.13   0.03     0.09  -0.14  -0.06
    24   1     0.45   0.02   0.88     0.09   0.01   0.13    -0.08  -0.02  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    619.9599               665.9491               899.6210
 Red. masses --      3.4356                 4.9112                 1.7753
 Frc consts  --      0.7780                 1.2833                 0.8465
 IR Inten    --      7.7947                19.4019                 8.6701
 RamAct Fr= 1--      0.1757                 0.3802                 1.7651
  Dep-P Fr= 1--      0.7494                 0.6393                 0.2837
  Dep-U Fr= 1--      0.8567                 0.7800                 0.4420
 Alpha2 Fr= 1--      0.0000                 0.0008                 0.0190
 Beta2  Fr= 1--      0.0251                 0.0494                 0.1300
 AlphaG Fr= 1--      0.0001                 0.0014                 0.0008
 Gamma2 Fr= 1--      0.0924                -0.2440                 0.2484
 Delta2 Fr= 1--      0.0443                -0.1227                 0.1977
 Raman1 Fr= 1--       0.703                  1.521                  7.061
 ROA1   Fr= 1--      10.292                -27.351                 30.170
 CID1   Fr= 1--      14.645                -17.983                  4.273
 Raman2 Fr= 1--       0.301                  0.593                  1.560
 ROA2   Fr= 1--       1.864                 -4.874                  4.379
 CID2   Fr= 1--       6.193                 -8.217                  2.807
 Raman3 Fr= 1--       0.602                  1.186                  3.121
 ROA3   Fr= 1--      10.292                -27.351                 30.170
 CID3   Fr= 1--      17.095                -23.055                  9.667
 RC180  Fr= 1--       0.713                  0.560                 -0.116
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17  -0.02   0.04     0.05   0.05  -0.02    -0.06   0.01  -0.03
     2   6    -0.00  -0.17   0.08     0.03   0.04  -0.07    -0.01  -0.01  -0.01
     3   6    -0.09   0.03  -0.13     0.01  -0.08   0.04    -0.05   0.09   0.12
     4   6     0.05   0.02   0.03     0.19   0.10  -0.11    -0.03  -0.04  -0.09
     5   8    -0.05   0.15  -0.00     0.19   0.22  -0.03    -0.00   0.02  -0.01
     6   6    -0.02  -0.03  -0.13     0.04  -0.07   0.11     0.03  -0.01   0.03
     7   8     0.02   0.08  -0.01    -0.04   0.08   0.02     0.02  -0.03  -0.01
     8   1    -0.52  -0.08   0.03     0.22   0.15  -0.00     0.01  -0.02  -0.03
     9   8     0.17  -0.02   0.00    -0.01   0.01   0.02     0.02   0.00   0.01
    10   1    -0.03  -0.45   0.07     0.09   0.16  -0.06     0.02   0.01  -0.01
    11   1    -0.19   0.04  -0.12     0.02  -0.25   0.04    -0.09   0.19   0.12
    12   8     0.02  -0.04   0.04    -0.12  -0.13  -0.00     0.00   0.01  -0.01
    13   6     0.08  -0.08   0.06     0.03  -0.06   0.06     0.07  -0.13  -0.04
    14   1     0.20  -0.08   0.03     0.36   0.16  -0.10    -0.25   0.16  -0.09
    15   8    -0.03   0.03   0.03    -0.19  -0.10  -0.01     0.00   0.01  -0.00
    16   1    -0.04  -0.08  -0.12     0.00  -0.20   0.11     0.04  -0.01   0.03
    17   1     0.03   0.19   0.07    -0.05  -0.01  -0.04     0.04   0.12   0.08
    18   1    -0.02   0.13  -0.10     0.05  -0.04   0.04    -0.02   0.03  -0.01
    19   1     0.07  -0.01  -0.04    -0.07  -0.11  -0.04     0.21   0.10  -0.10
    20   8    -0.00   0.01  -0.02    -0.10  -0.01  -0.01     0.01   0.01   0.00
    21   1     0.04  -0.05  -0.09    -0.02  -0.06   0.04     0.33  -0.24   0.50
    22   1     0.18  -0.19   0.06    -0.01  -0.07   0.06    -0.14   0.40  -0.08
    23   1     0.10   0.14   0.03    -0.26  -0.43  -0.05    -0.04  -0.05  -0.01
    24   1    -0.09  -0.00   0.02    -0.15  -0.02   0.09    -0.20  -0.03   0.18
                     25                     26                     27
                      A                      A                      A
 Frequencies --    997.7057              1010.3726              1023.4088
 Red. masses --      3.9671                 3.8869                 3.7461
 Frc consts  --      2.3266                 2.3379                 2.3117
 IR Inten    --    129.1611                41.2653                19.3072
 RamAct Fr= 1--      0.1024                 1.4588                 0.6329
  Dep-P Fr= 1--      0.6500                 0.3450                 0.5529
  Dep-U Fr= 1--      0.7879                 0.5130                 0.7121
 Alpha2 Fr= 1--      0.0002                 0.0130                 0.0024
 Beta2  Fr= 1--      0.0135                 0.1247                 0.0751
 AlphaG Fr= 1--      0.0002                 0.0157                -0.0065
 Gamma2 Fr= 1--     -0.2352                 0.0281                 0.1676
 Delta2 Fr= 1--     -0.2292                 0.1221                 0.0972
 Raman1 Fr= 1--       0.410                  5.835                  2.532
 ROA1   Fr= 1--     -29.918                  6.606                 19.204
 CID1   Fr= 1--     -73.009                  1.132                  7.586
 Raman2 Fr= 1--       0.161                  1.497                  0.901
 ROA2   Fr= 1--      -3.812                 -0.303                  3.246
 CID2   Fr= 1--     -23.614                 -0.202                  3.601
 Raman3 Fr= 1--       0.323                  2.993                  1.803
 ROA3   Fr= 1--     -29.918                  6.606                 19.204
 CID3   Fr= 1--     -92.661                  2.207                 10.652
 RC180  Fr= 1--       0.576                  0.026                  0.424
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.09   0.16    -0.10  -0.06  -0.17     0.24   0.01  -0.09
     2   6     0.07   0.23   0.09    -0.08   0.04   0.05     0.05  -0.16   0.17
     3   6    -0.07   0.11  -0.04     0.10  -0.11   0.13     0.05   0.15  -0.09
     4   6     0.06   0.04  -0.08     0.18   0.02   0.02     0.03   0.04  -0.01
     5   8     0.04  -0.06   0.09     0.08  -0.07   0.10     0.05  -0.04   0.05
     6   6    -0.00   0.01  -0.21    -0.15   0.06  -0.14    -0.11  -0.02  -0.05
     7   8     0.03  -0.14  -0.06    -0.04   0.06   0.03    -0.00   0.07   0.06
     8   1    -0.15  -0.10   0.13    -0.13  -0.04  -0.16     0.11   0.07  -0.08
     9   8    -0.03   0.01  -0.04     0.08  -0.03   0.02    -0.11   0.00  -0.05
    10   1    -0.06   0.12   0.08     0.09   0.16   0.07    -0.00  -0.18   0.15
    11   1    -0.02  -0.01  -0.04     0.04   0.01   0.13    -0.25   0.24  -0.08
    12   8    -0.04  -0.03   0.03     0.03   0.02  -0.03    -0.12  -0.09   0.05
    13   6     0.04  -0.02   0.02    -0.01   0.06  -0.13     0.01  -0.04  -0.03
    14   1     0.07  -0.11  -0.08     0.06   0.24   0.03    -0.05   0.03  -0.01
    15   8    -0.08  -0.12   0.03    -0.03  -0.04   0.00     0.02   0.04  -0.01
    16   1     0.07  -0.03  -0.20    -0.11   0.17  -0.13    -0.12   0.19  -0.05
    17   1     0.04  -0.13  -0.06    -0.01   0.32   0.20    -0.05  -0.37  -0.25
    18   1     0.36  -0.28   0.24    -0.04   0.06  -0.07    -0.29   0.14  -0.18
    19   1     0.27   0.11  -0.15    -0.15  -0.06   0.07     0.11   0.01  -0.05
    20   8    -0.02  -0.01   0.00    -0.07  -0.03   0.04    -0.00   0.00   0.01
    21   1    -0.01  -0.02  -0.01    -0.02   0.01   0.11     0.02  -0.08   0.16
    22   1     0.01  -0.04   0.02    -0.20   0.25  -0.13    -0.06   0.16  -0.05
    23   1     0.28   0.35   0.06     0.31   0.35   0.03     0.18   0.20  -0.01
    24   1    -0.08  -0.02   0.04     0.02  -0.02  -0.00    -0.11  -0.02   0.07
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1049.4672              1079.6879              1090.3917
 Red. masses --      3.1765                 4.5624                 4.2117
 Frc consts  --      2.0613                 3.1336                 2.9504
 IR Inten    --     30.8342                 7.9353               209.5780
 RamAct Fr= 1--      1.1301                 1.3253                 5.3630
  Dep-P Fr= 1--      0.6358                 0.4394                 0.3845
  Dep-U Fr= 1--      0.7773                 0.6105                 0.5554
 Alpha2 Fr= 1--      0.0023                 0.0085                 0.0419
 Beta2  Fr= 1--      0.1464                 0.1348                 0.4965
 AlphaG Fr= 1--     -0.0098                -0.0043                 0.0299
 Gamma2 Fr= 1--      1.4680                -0.7548                 1.4695
 Delta2 Fr= 1--      1.2857                -0.3106                 0.6222
 Raman1 Fr= 1--       4.521                  5.301                 21.452
 ROA1   Fr= 1--     182.075                -82.401                160.985
 CID1   Fr= 1--      40.277                -15.544                  7.504
 Raman2 Fr= 1--       1.757                  1.618                  5.958
 ROA2   Fr= 1--      24.947                -15.631                 30.291
 CID2   Fr= 1--      14.199                 -9.660                  5.084
 Raman3 Fr= 1--       3.514                  3.236                 11.916
 ROA3   Fr= 1--     182.075                -82.401                160.985
 CID3   Fr= 1--      51.814                -25.461                 13.510
 RC180  Fr= 1--       0.555                  0.221                  0.111
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03  -0.04     0.08   0.07   0.02     0.06   0.12  -0.05
     2   6     0.06   0.09   0.12    -0.04  -0.03   0.03    -0.14  -0.01   0.07
     3   6     0.11  -0.07  -0.06    -0.17  -0.05   0.01    -0.11  -0.06   0.07
     4   6    -0.12  -0.06   0.18    -0.12  -0.15   0.05    -0.10  -0.11  -0.00
     5   8     0.04   0.11  -0.08     0.13   0.10  -0.04     0.17   0.06   0.00
     6   6     0.15  -0.05  -0.08    -0.03   0.04  -0.03    -0.03   0.03  -0.08
     7   8    -0.02   0.02   0.02     0.02  -0.02  -0.00     0.01  -0.04  -0.01
     8   1    -0.37  -0.11  -0.05     0.24   0.11   0.03     0.41   0.16  -0.04
     9   8    -0.06   0.03  -0.05     0.01  -0.02   0.01     0.06  -0.04   0.03
    10   1     0.01   0.09   0.11    -0.08  -0.11   0.02    -0.10   0.02   0.08
    11   1    -0.01   0.20  -0.05    -0.24   0.05   0.00    -0.10  -0.14   0.06
    12   8     0.01  -0.01   0.00     0.06   0.07  -0.03     0.05   0.06  -0.04
    13   6    -0.05  -0.04  -0.08     0.24   0.16  -0.11    -0.20  -0.09   0.12
    14   1    -0.25   0.15   0.17    -0.24  -0.12   0.03     0.12  -0.21   0.00
    15   8    -0.07  -0.05   0.03    -0.03  -0.02   0.01    -0.06  -0.03   0.01
    16   1     0.20  -0.12  -0.08     0.00   0.06  -0.03     0.13   0.12  -0.07
    17   1    -0.03  -0.03  -0.02    -0.01  -0.23  -0.13     0.00  -0.08  -0.03
    18   1     0.12  -0.11   0.10    -0.12   0.08  -0.09    -0.27   0.21  -0.21
    19   1    -0.38  -0.18   0.20     0.05   0.06  -0.03     0.06   0.07  -0.05
    20   8     0.04   0.02   0.01    -0.18  -0.13   0.11     0.16   0.09  -0.10
    21   1     0.05  -0.10   0.25     0.43   0.18  -0.18    -0.25  -0.06  -0.02
    22   1    -0.04   0.29  -0.10     0.24  -0.05  -0.07    -0.13  -0.17   0.11
    23   1     0.02   0.03   0.03     0.02   0.02   0.01     0.21   0.21   0.02
    24   1    -0.03   0.01   0.03     0.21  -0.06  -0.13    -0.05   0.05   0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1099.2875              1104.1177              1114.2679
 Red. masses --      3.2079                 3.5397                 2.5867
 Frc consts  --      2.2840                 2.5424                 1.8922
 IR Inten    --    190.0371                94.1782                66.7533
 RamAct Fr= 1--      4.6818                 1.6392                 7.1115
  Dep-P Fr= 1--      0.1077                 0.4482                 0.7217
  Dep-U Fr= 1--      0.1944                 0.6190                 0.8384
 Alpha2 Fr= 1--      0.0804                 0.0101                 0.0035
 Beta2  Fr= 1--      0.1517                 0.1691                 0.9937
 AlphaG Fr= 1--     -0.0190                 0.0171                 0.0005
 Gamma2 Fr= 1--     -0.9369                -0.9840                 2.1672
 Delta2 Fr= 1--     -0.5857                -0.5883                 0.6616
 Raman1 Fr= 1--      18.727                  6.557                 28.446
 ROA1   Fr= 1--    -108.686               -113.287                229.219
 CID1   Fr= 1--      -5.804                -17.277                  8.058
 Raman2 Fr= 1--       1.820                  2.029                 11.924
 ROA2   Fr= 1--     -17.800                -18.909                 46.718
 CID2   Fr= 1--      -9.778                 -9.318                  3.918
 Raman3 Fr= 1--       3.641                  4.059                 23.849
 ROA3   Fr= 1--    -108.686               -113.287                229.219
 CID3   Fr= 1--     -29.851                -27.912                  9.611
 RC180  Fr= 1--      -0.611                  0.238                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.05  -0.14    -0.08   0.14   0.03    -0.04   0.23   0.00
     2   6     0.06  -0.05   0.18     0.02  -0.06  -0.07     0.01  -0.06   0.04
     3   6     0.03   0.02   0.15     0.19   0.16   0.01     0.08  -0.09  -0.03
     4   6     0.03  -0.04  -0.12     0.03  -0.18   0.07    -0.06   0.16   0.00
     5   8    -0.14   0.02  -0.02     0.07   0.03  -0.03    -0.01  -0.04   0.02
     6   6     0.18  -0.07  -0.03    -0.03   0.13   0.04    -0.02  -0.00   0.01
     7   8    -0.01  -0.01   0.01     0.01  -0.09  -0.06     0.01  -0.11  -0.06
     8   1     0.10  -0.05  -0.14    -0.17   0.14   0.01    -0.03   0.31  -0.00
     9   8    -0.07   0.02  -0.05     0.01  -0.00   0.01    -0.01  -0.02  -0.00
    10   1     0.17   0.12   0.18     0.01  -0.30  -0.08     0.04  -0.14   0.04
    11   1     0.08  -0.12   0.15     0.26   0.22   0.03     0.27  -0.28  -0.03
    12   8    -0.01   0.00  -0.02    -0.11  -0.08   0.06     0.01  -0.01  -0.01
    13   6     0.02   0.07   0.08    -0.09   0.06  -0.07     0.09  -0.04   0.03
    14   1     0.07  -0.14  -0.11     0.14  -0.39   0.07    -0.25   0.32   0.00
    15   8    -0.03  -0.01   0.02    -0.02  -0.04   0.02     0.01   0.01  -0.00
    16   1     0.21   0.05  -0.04    -0.07   0.11   0.04    -0.01   0.05   0.01
    17   1     0.03   0.25   0.14     0.05   0.32   0.20     0.03   0.09   0.07
    18   1    -0.20   0.12  -0.11    -0.11   0.08  -0.07    -0.24   0.16  -0.16
    19   1     0.10   0.04  -0.04     0.09   0.00  -0.04    -0.40  -0.19   0.16
    20   8    -0.03  -0.02  -0.01    -0.00  -0.00   0.01    -0.02  -0.01   0.01
    21   1     0.19   0.17  -0.30     0.11   0.08  -0.07    -0.03  -0.07   0.10
    22   1    -0.04  -0.34   0.11    -0.15   0.01  -0.06     0.17   0.05   0.03
    23   1     0.08   0.12   0.02    -0.10  -0.11   0.01     0.04   0.04  -0.00
    24   1     0.28   0.03  -0.17     0.25   0.04  -0.11    -0.16  -0.03   0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1119.1060              1136.1901              1160.7147
 Red. masses --      3.7895                 3.3513                 2.9776
 Frc consts  --      2.7963                 2.5490                 2.3636
 IR Inten    --    130.4360                 8.2614                39.5947
 RamAct Fr= 1--      5.6106                 3.8851                 3.5341
  Dep-P Fr= 1--      0.5211                 0.7473                 0.5157
  Dep-U Fr= 1--      0.6851                 0.8554                 0.6805
 Alpha2 Fr= 1--      0.0250                 0.0002                 0.0162
 Beta2  Fr= 1--      0.6407                 0.5539                 0.4008
 AlphaG Fr= 1--     -0.0208                -0.0002                -0.0142
 Gamma2 Fr= 1--      1.1955                -0.5536                -0.3840
 Delta2 Fr= 1--      0.8846                -0.2598                 0.2761
 Raman1 Fr= 1--      22.442                 15.540                 14.136
 ROA1   Fr= 1--     143.078                -61.456                -28.028
 CID1   Fr= 1--       6.375                 -3.955                 -1.983
 Raman2 Fr= 1--       7.688                  6.646                  4.810
 ROA2   Fr= 1--      21.616                -11.207                -11.425
 CID2   Fr= 1--       2.812                 -1.686                 -2.375
 Raman3 Fr= 1--      15.376                 13.293                  9.620
 ROA3   Fr= 1--     143.078                -61.456                -28.028
 CID3   Fr= 1--       9.305                 -4.623                 -2.914
 RC180  Fr= 1--       0.370                  0.711                  0.361
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.03  -0.01    -0.02   0.09   0.05    -0.02  -0.12   0.00
     2   6    -0.21  -0.01  -0.05     0.20  -0.10   0.02     0.12  -0.09  -0.09
     3   6     0.00   0.02  -0.07    -0.16  -0.13   0.06    -0.00  -0.00  -0.01
     4   6     0.12   0.06   0.03     0.16  -0.04   0.06    -0.10   0.05  -0.05
     5   8    -0.15  -0.05  -0.03    -0.06   0.01   0.01     0.06  -0.03   0.02
     6   6     0.25   0.14   0.02     0.02   0.09   0.03     0.02   0.23   0.02
     7   8     0.01   0.01   0.01     0.02  -0.03  -0.02    -0.01   0.06   0.02
     8   1     0.19   0.17   0.00    -0.12   0.11   0.05    -0.04  -0.16   0.00
     9   8     0.09  -0.04   0.07    -0.10   0.04  -0.06    -0.05   0.03  -0.02
    10   1    -0.31  -0.09  -0.05     0.24  -0.35   0.00     0.20  -0.19  -0.10
    11   1    -0.10   0.09  -0.06    -0.31  -0.07   0.05     0.04  -0.04  -0.01
    12   8    -0.02  -0.02   0.01     0.07   0.07  -0.05     0.02   0.00  -0.00
    13   6     0.00   0.00  -0.08    -0.08   0.01  -0.11     0.04  -0.03   0.10
    14   1     0.07   0.02   0.04     0.37  -0.00   0.07    -0.37   0.12  -0.06
    15   8    -0.09  -0.11   0.05    -0.01  -0.03   0.02    -0.08  -0.12   0.03
    16   1     0.42   0.24   0.01    -0.15   0.15   0.04     0.13   0.56   0.03
    17   1    -0.03  -0.34  -0.20     0.01  -0.12  -0.10    -0.00   0.16   0.09
    18   1    -0.16   0.15  -0.08    -0.03  -0.02   0.00     0.05  -0.05   0.05
    19   1     0.01  -0.00  -0.01     0.03   0.05  -0.03    -0.07  -0.03   0.04
    20   8    -0.01  -0.00   0.02     0.02   0.01   0.01     0.01   0.01  -0.02
    21   1    -0.10  -0.05   0.12    -0.29  -0.06   0.13     0.11   0.01  -0.07
    22   1    -0.00   0.22  -0.10    -0.06   0.27  -0.14    -0.03  -0.20   0.12
    23   1     0.09   0.15   0.07    -0.15  -0.13   0.02     0.19   0.24   0.06
    24   1    -0.07  -0.01   0.04    -0.13  -0.01   0.09     0.01   0.01  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1189.1415              1228.3300              1249.4276
 Red. masses --      1.1651                 1.2601                 1.1551
 Frc consts  --      0.9707                 1.1202                 1.0625
 IR Inten    --     12.2110                 3.9138                10.5409
 RamAct Fr= 1--      2.1043                 1.7765                 4.2977
  Dep-P Fr= 1--      0.7404                 0.3407                 0.7485
  Dep-U Fr= 1--      0.8508                 0.5083                 0.8562
 Alpha2 Fr= 1--      0.0003                 0.0161                 0.0001
 Beta2  Fr= 1--      0.2984                 0.1505                 0.6133
 AlphaG Fr= 1--     -0.0013                -0.0001                 0.0019
 Gamma2 Fr= 1--     -2.1417                 1.1972                -0.1381
 Delta2 Fr= 1--     -1.5936                 0.9705                -0.0660
 Raman1 Fr= 1--       8.417                  7.106                 17.191
 ROA1   Fr= 1--    -256.593                145.987                -15.374
 CID1   Fr= 1--     -30.484                 20.544                 -0.894
 Raman2 Fr= 1--       3.581                  1.806                  7.359
 ROA2   Fr= 1--     -38.651                 20.968                 -2.787
 CID2   Fr= 1--     -10.794                 11.611                 -0.379
 Raman3 Fr= 1--       7.161                  3.612                 14.718
 ROA3   Fr= 1--    -256.593                145.987                -15.374
 CID3   Fr= 1--     -35.830                 40.419                 -1.045
 RC180  Fr= 1--       0.702                  0.017                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04   0.01    -0.05  -0.02   0.09     0.01   0.00   0.02
     2   6     0.02  -0.02   0.01     0.03  -0.03  -0.03    -0.00  -0.01   0.03
     3   6    -0.01   0.03  -0.03    -0.02  -0.00  -0.04    -0.05   0.01  -0.06
     4   6    -0.03   0.01   0.04     0.03  -0.00   0.03     0.03   0.01   0.00
     5   8     0.00   0.01  -0.02    -0.01   0.01  -0.00    -0.01  -0.00   0.01
     6   6     0.02  -0.02  -0.00    -0.00  -0.05   0.01     0.01  -0.01  -0.00
     7   8    -0.01   0.01  -0.00     0.02  -0.00  -0.02    -0.03  -0.01  -0.01
     8   1     0.33  -0.08   0.01     0.05   0.22   0.11     0.62  -0.11   0.02
     9   8    -0.01   0.00  -0.01    -0.01  -0.02   0.01    -0.00   0.02  -0.01
    10   1     0.17   0.26   0.03     0.34   0.58   0.01    -0.10  -0.12   0.02
    11   1     0.26  -0.26  -0.03     0.06   0.17  -0.03    -0.01   0.33  -0.06
    12   8    -0.01  -0.00   0.01     0.01  -0.00   0.01     0.03  -0.02   0.00
    13   6     0.02   0.01  -0.05    -0.02  -0.01  -0.01    -0.01  -0.02  -0.01
    14   1     0.07  -0.30   0.03     0.02   0.10   0.03     0.11   0.03   0.00
    15   8    -0.01  -0.00  -0.00    -0.01   0.00  -0.01     0.00   0.00   0.00
    16   1     0.01   0.11  -0.01     0.01   0.14   0.01    -0.05   0.04  -0.00
    17   1     0.01   0.23   0.14    -0.01  -0.16  -0.09     0.02   0.39   0.24
    18   1    -0.08   0.06  -0.06    -0.25   0.17  -0.18     0.13  -0.09   0.09
    19   1     0.15   0.07  -0.09    -0.05  -0.03   0.03    -0.31  -0.15   0.15
    20   8     0.00  -0.01   0.03    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    21   1    -0.36  -0.05   0.08     0.27   0.01   0.00     0.14  -0.01   0.01
    22   1     0.37   0.18  -0.07    -0.25  -0.02   0.00    -0.17   0.01  -0.01
    23   1     0.08   0.09   0.00     0.18   0.17  -0.01    -0.02  -0.01   0.00
    24   1    -0.25  -0.05   0.15     0.16   0.03  -0.09     0.07   0.01  -0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1274.0805              1280.5282              1306.9922
 Red. masses --      1.2554                 1.2923                 1.1518
 Frc consts  --      1.2007                 1.2485                 1.1593
 IR Inten    --     19.9903                69.1661                 8.6203
 RamAct Fr= 1--      2.4750                 3.2046                 1.8671
  Dep-P Fr= 1--      0.4147                 0.4041                 0.7496
  Dep-U Fr= 1--      0.5863                 0.5756                 0.8569
 Alpha2 Fr= 1--      0.0174                 0.0234                 0.0000
 Beta2  Fr= 1--      0.2418                 0.3075                 0.2666
 AlphaG Fr= 1--     -0.0042                 0.0135                 0.0001
 Gamma2 Fr= 1--     -0.4568                -0.4052                 0.1201
 Delta2 Fr= 1--     -1.0352                -1.0077                 0.4063
 Raman1 Fr= 1--       9.900                 12.819                  7.469
 ROA1   Fr= 1--     -76.983                -71.149                 24.529
 CID1   Fr= 1--      -7.776                 -5.550                  3.284
 Raman2 Fr= 1--       2.902                  3.689                  3.200
 ROA2   Fr= 1--      -2.683                 -1.665                 -0.368
 CID2   Fr= 1--      -0.924                 -0.451                 -0.115
 Raman3 Fr= 1--       5.804                  7.379                  6.400
 ROA3   Fr= 1--     -76.983                -71.149                 24.529
 CID3   Fr= 1--     -13.264                 -9.642                  3.833
 RC180  Fr= 1--       0.173                  0.151                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.02    -0.02  -0.04   0.01     0.02   0.00   0.00
     2   6     0.01  -0.02  -0.03    -0.02   0.08   0.03     0.01   0.02   0.00
     3   6     0.02   0.01   0.05    -0.00   0.01  -0.01    -0.01   0.00  -0.02
     4   6    -0.02  -0.05  -0.09    -0.01  -0.01  -0.04    -0.05  -0.01  -0.00
     5   8    -0.00   0.01   0.00     0.00  -0.02   0.02    -0.01  -0.01  -0.00
     6   6    -0.02  -0.03   0.03     0.01   0.08  -0.06    -0.06   0.02   0.05
     7   8     0.00  -0.00  -0.01     0.00   0.01   0.01    -0.01  -0.00   0.00
     8   1    -0.20   0.08   0.02     0.09  -0.09   0.01    -0.03  -0.16  -0.01
     9   8     0.00   0.00   0.01     0.00  -0.04  -0.01    -0.00  -0.01  -0.01
    10   1    -0.12   0.16  -0.03     0.53  -0.19   0.05     0.14  -0.13   0.01
    11   1    -0.12   0.54   0.06     0.08   0.32  -0.00     0.05  -0.11  -0.03
    12   8     0.02  -0.01  -0.01     0.01  -0.01   0.01    -0.01   0.00   0.00
    13   6     0.02   0.03   0.01     0.02   0.01   0.02    -0.02  -0.01  -0.02
    14   1     0.18  -0.02  -0.09    -0.04   0.02  -0.05     0.51   0.35   0.01
    15   8    -0.01  -0.00  -0.01     0.01  -0.01   0.02    -0.00  -0.01  -0.01
    16   1     0.13   0.10   0.03    -0.03  -0.31  -0.05     0.57  -0.23   0.07
    17   1    -0.00  -0.03  -0.02    -0.01  -0.09  -0.05     0.00   0.08   0.05
    18   1     0.04  -0.03   0.02    -0.33   0.22  -0.21    -0.05   0.03  -0.03
    19   1    -0.33  -0.16   0.16    -0.10  -0.05   0.05     0.08   0.04  -0.04
    20   8     0.00  -0.00   0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.01
    21   1    -0.37   0.01  -0.05    -0.16   0.01  -0.03     0.21  -0.01   0.03
    22   1     0.34   0.02  -0.00     0.07  -0.03   0.02     0.16   0.06  -0.04
    23   1     0.17   0.17  -0.00    -0.28  -0.30   0.01     0.14   0.13  -0.00
    24   1    -0.17  -0.03   0.08    -0.09  -0.02   0.05     0.09   0.01  -0.05
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1337.3504              1346.4253              1354.5166
 Red. masses --      1.3344                 1.2478                 1.2898
 Frc consts  --      1.4061                 1.3328                 1.3942
 IR Inten    --     31.8658                34.6655                 1.3698
 RamAct Fr= 1--      0.9809                 2.5891                 1.9621
  Dep-P Fr= 1--      0.4180                 0.6308                 0.5391
  Dep-U Fr= 1--      0.5895                 0.7736                 0.7005
 Alpha2 Fr= 1--      0.0068                 0.0056                 0.0080
 Beta2  Fr= 1--      0.0964                 0.3338                 0.2291
 AlphaG Fr= 1--      0.0116                 0.0069                 0.0117
 Gamma2 Fr= 1--      0.3309                -0.2621                 0.1585
 Delta2 Fr= 1--      0.0579                 1.0470                 0.0958
 Raman1 Fr= 1--       3.924                 10.357                  7.848
 ROA1   Fr= 1--      33.616                  8.343                 18.283
 CID1   Fr= 1--       8.567                  0.806                  2.329
 Raman2 Fr= 1--       1.157                  4.006                  2.749
 ROA2   Fr= 1--       7.478                -14.666                  3.038
 CID2   Fr= 1--       6.465                 -3.661                  1.105
 Raman3 Fr= 1--       2.313                  8.012                  5.498
 ROA3   Fr= 1--      33.616                  8.343                 18.283
 CID3   Fr= 1--      14.532                  1.041                  3.325
 RC180  Fr= 1--       0.179                  0.547                  0.401
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01  -0.04    -0.08  -0.02  -0.04     0.01  -0.01   0.01
     2   6    -0.01  -0.01  -0.00    -0.05  -0.03   0.05     0.01  -0.03   0.00
     3   6    -0.03   0.05   0.04     0.00  -0.02  -0.00     0.03  -0.04  -0.04
     4   6    -0.07   0.05  -0.02     0.01  -0.03   0.00    -0.03  -0.08  -0.02
     5   8     0.02  -0.01   0.04     0.00   0.01  -0.01    -0.00  -0.00   0.04
     6   6     0.04   0.01  -0.04    -0.03  -0.01   0.02     0.05   0.01  -0.06
     7   8     0.02   0.01   0.02     0.02   0.01  -0.00    -0.01  -0.00  -0.01
     8   1    -0.02   0.04  -0.04     0.23   0.51   0.01     0.05   0.15   0.02
     9   8     0.00   0.01  -0.00     0.00   0.04  -0.03     0.00   0.00   0.01
    10   1    -0.03  -0.01  -0.01     0.26  -0.22   0.07    -0.19   0.19  -0.01
    11   1     0.26  -0.08   0.03     0.34   0.15  -0.00    -0.00   0.07  -0.05
    12   8     0.02  -0.01  -0.01    -0.01   0.00   0.02    -0.03   0.01   0.02
    13   6    -0.05  -0.04  -0.03     0.01   0.02   0.01    -0.02   0.02   0.01
    14   1     0.46  -0.17  -0.01    -0.08   0.10  -0.00     0.13   0.68  -0.01
    15   8     0.00  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00   0.03
    16   1    -0.31   0.20  -0.05     0.21   0.04   0.03    -0.25   0.21  -0.07
    17   1    -0.02  -0.28  -0.16    -0.01  -0.25  -0.15     0.01   0.14   0.08
    18   1     0.07  -0.05   0.04     0.35  -0.23   0.22    -0.00   0.00  -0.01
    19   1    -0.24  -0.12   0.11     0.11   0.05  -0.05     0.27   0.14  -0.12
    20   8    -0.01   0.00   0.02     0.00  -0.00  -0.00     0.00  -0.00   0.00
    21   1     0.34  -0.03   0.06    -0.09   0.02  -0.02    -0.05   0.02  -0.03
    22   1     0.32   0.09  -0.05    -0.03  -0.03   0.01     0.23  -0.02   0.01
    23   1    -0.13  -0.12   0.01     0.02   0.03   0.00    -0.20  -0.21   0.01
    24   1     0.18   0.03  -0.11    -0.06  -0.01   0.04    -0.03  -0.01   0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1367.3402              1388.4756              1403.6213
 Red. masses --      1.2083                 1.3584                 1.4155
 Frc consts  --      1.3310                 1.5430                 1.6431
 IR Inten    --      5.4749                24.7013                 3.4643
 RamAct Fr= 1--      0.7016                 3.7650                 4.3394
  Dep-P Fr= 1--      0.6511                 0.6418                 0.7500
  Dep-U Fr= 1--      0.7887                 0.7818                 0.8571
 Alpha2 Fr= 1--      0.0012                 0.0074                 0.0000
 Beta2  Fr= 1--      0.0922                 0.4906                 0.6199
 AlphaG Fr= 1--      0.0015                -0.0007                -0.0001
 Gamma2 Fr= 1--      0.4022                -2.0687                 1.2449
 Delta2 Fr= 1--      0.1716                -1.0374                 0.1102
 Raman1 Fr= 1--       2.807                 15.060                 17.357
 ROA1   Fr= 1--      44.100               -231.794                123.033
 CID1   Fr= 1--      15.714                -15.391                  7.088
 Raman2 Fr= 1--       1.107                  5.887                  7.439
 ROA2   Fr= 1--       8.279                -41.350                 28.996
 CID2   Fr= 1--       7.481                 -7.024                  3.898
 Raman3 Fr= 1--       2.213                 11.774                 14.878
 ROA3   Fr= 1--      44.100               -231.794                123.033
 CID3   Fr= 1--      19.924                -19.687                  8.270
 RC180  Fr= 1--       0.577                  0.564                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.05  -0.04    -0.04   0.02  -0.01     0.01  -0.02   0.01
     2   6     0.04  -0.00  -0.02     0.02   0.07  -0.02    -0.03   0.09  -0.02
     3   6    -0.07  -0.01  -0.01     0.00  -0.04  -0.02     0.05  -0.01   0.00
     4   6    -0.00  -0.03   0.02     0.05  -0.02  -0.01    -0.08   0.01   0.01
     5   8    -0.00   0.01   0.00    -0.00   0.02  -0.01    -0.00   0.01   0.01
     6   6     0.00  -0.01   0.01     0.02  -0.06   0.07     0.04  -0.09   0.04
     7   8     0.01   0.01   0.03     0.00   0.00   0.01    -0.01  -0.01  -0.01
     8   1    -0.06  -0.44  -0.09     0.14  -0.23  -0.03    -0.04   0.08   0.02
     9   8    -0.00  -0.01   0.01     0.00  -0.01   0.00     0.00  -0.01  -0.00
    10   1    -0.25   0.01  -0.04     0.04  -0.35  -0.03     0.26  -0.39  -0.01
    11   1     0.66   0.17  -0.01     0.04   0.17  -0.02    -0.22  -0.01   0.00
    12   8    -0.01  -0.00   0.02    -0.01   0.01   0.01    -0.01   0.01  -0.00
    13   6     0.04   0.03  -0.00    -0.07  -0.03   0.01     0.05   0.03  -0.01
    14   1     0.09   0.13   0.02    -0.32   0.11  -0.02     0.41  -0.02   0.03
    15   8    -0.00  -0.00  -0.01    -0.01  -0.00  -0.04    -0.01   0.00  -0.01
    16   1    -0.07   0.02   0.01    -0.28   0.08   0.06    -0.29   0.38   0.03
    17   1    -0.01  -0.17  -0.10    -0.00  -0.08  -0.05     0.00   0.05   0.03
    18   1    -0.07   0.04  -0.04    -0.10   0.07  -0.07    -0.07   0.05  -0.05
    19   1     0.02   0.01  -0.01     0.14   0.07  -0.06     0.07   0.04  -0.04
    20   8     0.01  -0.01  -0.02    -0.01   0.02   0.02     0.01  -0.02  -0.01
    21   1    -0.09   0.02  -0.03     0.03  -0.03   0.03     0.02   0.04  -0.06
    22   1    -0.33  -0.06   0.02     0.48   0.04  -0.02    -0.35  -0.01   0.01
    23   1     0.05   0.05  -0.00     0.27   0.27  -0.02     0.14   0.15  -0.01
    24   1    -0.18  -0.04   0.10     0.27   0.06  -0.13    -0.27  -0.06   0.13
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1422.4196              1430.1880              1436.9663
 Red. masses --      1.6478                 1.2686                 1.5223
 Frc consts  --      1.9643                 1.5288                 1.8520
 IR Inten    --      4.7108                42.3640                 4.6173
 RamAct Fr= 1--      6.0319                 1.8195                 1.7684
  Dep-P Fr= 1--      0.6906                 0.7489                 0.6395
  Dep-U Fr= 1--      0.8170                 0.8564                 0.7801
 Alpha2 Fr= 1--      0.0063                 0.0000                 0.0035
 Beta2  Fr= 1--      0.8213                 0.2597                 0.2299
 AlphaG Fr= 1--     -0.0123                 0.0018                 0.0138
 Gamma2 Fr= 1--     -0.6275                 0.1170                 0.1691
 Delta2 Fr= 1--     -0.2529                 0.3138                 0.1274
 Raman1 Fr= 1--      24.128                  7.278                  7.074
 ROA1   Fr= 1--     -68.330                 21.273                 20.312
 CID1   Fr= 1--      -2.832                  2.923                  2.872
 Raman2 Fr= 1--       9.856                  3.117                  2.759
 ROA2   Fr= 1--     -13.036                  0.297                  3.040
 CID2   Fr= 1--      -1.323                  0.095                  1.102
 Raman3 Fr= 1--      19.711                  6.233                  5.518
 ROA3   Fr= 1--     -68.330                 21.273                 20.312
 CID3   Fr= 1--      -3.467                  3.413                  3.681
 RC180  Fr= 1--       0.634                  0.713                  0.560
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12   0.05   0.02    -0.05   0.03   0.00     0.10   0.01   0.01
     2   6    -0.13  -0.04  -0.02     0.02   0.04  -0.02    -0.03  -0.01  -0.00
     3   6    -0.07   0.06  -0.00     0.02  -0.00  -0.00    -0.03  -0.14   0.00
     4   6     0.05  -0.06   0.01     0.02   0.01  -0.00    -0.01   0.10  -0.01
     5   8    -0.00   0.01   0.00    -0.00   0.01  -0.01     0.00  -0.01  -0.01
     6   6     0.02  -0.04   0.00    -0.06  -0.08  -0.04    -0.01  -0.01  -0.02
     7   8    -0.01  -0.01  -0.01     0.01   0.00   0.01    -0.03  -0.01  -0.02
     8   1    -0.35  -0.27  -0.02     0.11  -0.25  -0.02    -0.30   0.11   0.01
     9   8     0.01   0.02  -0.02     0.00  -0.01   0.01    -0.00  -0.00  -0.00
    10   1     0.60   0.04   0.04    -0.03  -0.07  -0.03     0.07   0.03   0.01
    11   1     0.18  -0.20  -0.01    -0.11   0.00  -0.00     0.27   0.50   0.01
    12   8     0.01  -0.01  -0.01    -0.00  -0.00  -0.00    -0.03   0.02   0.02
    13   6    -0.01   0.00  -0.00     0.01  -0.01   0.00    -0.03  -0.02  -0.00
    14   1    -0.14   0.21   0.00    -0.08  -0.04  -0.01     0.00  -0.39  -0.00
    15   8     0.00   0.01   0.00     0.02   0.02   0.05     0.01   0.01   0.01
    16   1    -0.09   0.24  -0.01     0.50   0.65  -0.06     0.11   0.13  -0.02
    17   1     0.01   0.14   0.09    -0.00  -0.12  -0.07     0.01   0.26   0.14
    18   1     0.20  -0.13   0.13    -0.05   0.03  -0.04     0.01  -0.01   0.01
    19   1    -0.17  -0.09   0.08    -0.00  -0.00   0.00     0.30   0.15  -0.14
    20   8    -0.00   0.01   0.00    -0.01   0.01   0.00     0.00  -0.01   0.00
    21   1    -0.10  -0.02   0.04    -0.10  -0.02   0.02     0.29   0.02  -0.04
    22   1     0.05  -0.04   0.00    -0.00   0.02  -0.00     0.12   0.07  -0.01
    23   1    -0.02  -0.02   0.00    -0.28  -0.27   0.03    -0.08  -0.09   0.01
    24   1     0.08   0.02  -0.04     0.12   0.03  -0.06    -0.03  -0.01   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1444.9234              1450.0553              1515.6148
 Red. masses --      1.5176                 1.3562                 1.0892
 Frc consts  --      1.8668                 1.6801                 1.4742
 IR Inten    --      4.6049                99.4391                 1.1354
 RamAct Fr= 1--      3.4569                 2.9225                 5.1768
  Dep-P Fr= 1--      0.6769                 0.3564                 0.7200
  Dep-U Fr= 1--      0.8073                 0.5255                 0.8372
 Alpha2 Fr= 1--      0.0045                 0.0251                 0.0027
 Beta2  Fr= 1--      0.4651                 0.2560                 0.7223
 AlphaG Fr= 1--      0.0039                 0.0195                -0.0007
 Gamma2 Fr= 1--      0.1696                -0.7411                -0.1438
 Delta2 Fr= 1--      0.2092                -0.4595                -0.0398
 Raman1 Fr= 1--      13.828                 11.690                 20.707
 ROA1   Fr= 1--      22.978                -85.851                -15.081
 CID1   Fr= 1--       1.662                 -7.344                 -0.728
 Raman2 Fr= 1--       5.582                  3.072                  8.668
 ROA2   Fr= 1--       2.397                -14.110                 -3.133
 CID2   Fr= 1--       0.429                 -4.594                 -0.361
 Raman3 Fr= 1--      11.163                  6.144                 17.336
 ROA3   Fr= 1--      22.978                -85.851                -15.081
 CID3   Fr= 1--       2.058                -13.974                 -0.870
 RC180  Fr= 1--       0.615                  0.051                  0.674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.11  -0.01    -0.01   0.03   0.00    -0.00   0.00   0.00
     2   6     0.05   0.09   0.01    -0.02  -0.03   0.00    -0.00  -0.00  -0.00
     3   6    -0.09   0.06   0.01     0.03  -0.05  -0.00     0.01  -0.01  -0.00
     4   6     0.02  -0.02   0.00    -0.07   0.02  -0.01    -0.01   0.01  -0.00
     5   8    -0.00   0.01  -0.00     0.01  -0.01   0.01    -0.00  -0.00   0.00
     6   6    -0.01  -0.03   0.00     0.02   0.02  -0.00     0.00  -0.00   0.00
     7   8    -0.02  -0.01  -0.02     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.21   0.56   0.04     0.01  -0.10  -0.01     0.01  -0.01   0.00
     9   8    -0.01  -0.03   0.01     0.00   0.01  -0.01     0.00   0.00  -0.00
    10   1    -0.25  -0.24  -0.03     0.09   0.08   0.01     0.00   0.00   0.00
    11   1     0.34  -0.13   0.00    -0.05   0.14   0.00    -0.03   0.04  -0.00
    12   8     0.02  -0.01  -0.00    -0.02   0.01   0.01    -0.00   0.00   0.00
    13   6     0.03  -0.03  -0.01     0.09  -0.07  -0.01    -0.01   0.06  -0.05
    14   1    -0.04   0.05   0.00     0.21  -0.07  -0.00     0.04  -0.04  -0.00
    15   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    16   1     0.08   0.11   0.00    -0.11  -0.09   0.00     0.00   0.00   0.00
    17   1     0.01   0.20   0.12     0.00  -0.02  -0.01    -0.00   0.00   0.00
    18   1    -0.22   0.14  -0.13     0.08  -0.05   0.04     0.00  -0.00   0.00
    19   1    -0.11  -0.06   0.06     0.16   0.08  -0.06     0.02   0.01  -0.01
    20   8    -0.02   0.02   0.01    -0.04   0.05   0.02     0.00   0.00  -0.00
    21   1    -0.23  -0.08   0.10    -0.52  -0.16   0.12     0.01  -0.13   0.70
    22   1    -0.07  -0.02  -0.00    -0.24   0.08  -0.02     0.06  -0.69   0.04
    23   1    -0.01  -0.00   0.00     0.02   0.02  -0.00     0.00  -0.00   0.00
    24   1     0.26   0.07  -0.13     0.58   0.15  -0.29    -0.02   0.00   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   2976.0150              2979.0203              2987.5053
 Red. masses --      1.0811                 1.0725                 1.0800
 Frc consts  --      5.6414                 5.6080                 5.6795
 IR Inten    --      7.2280                31.0814                 2.4421
 RamAct Fr= 1--     62.1743               129.6815               180.0733
  Dep-P Fr= 1--      0.1655                 0.1191                 0.1585
  Dep-U Fr= 1--      0.2841                 0.2128                 0.2736
 Alpha2 Fr= 1--      0.9238                 2.1662                 2.7242
 Beta2  Fr= 1--      2.9436                 4.6003                 8.2118
 AlphaG Fr= 1--      0.0840                 0.5516                 0.1290
 Gamma2 Fr= 1--      2.3548                 3.9301                -3.4285
 Delta2 Fr= 1--      0.6860                 2.2231                -1.8950
 Raman1 Fr= 1--     248.697                518.726                720.293
 ROA1   Fr= 1--     248.012                448.434               -389.772
 CID1   Fr= 1--       0.997                  0.864                 -0.541
 Raman2 Fr= 1--      35.323                 55.203                 98.542
 ROA2   Fr= 1--      51.027                 76.538                -67.123
 CID2   Fr= 1--       1.445                  1.386                 -0.681
 Raman3 Fr= 1--      70.647                110.407                197.083
 ROA3   Fr= 1--     248.012                448.434               -389.772
 CID3   Fr= 1--       3.511                  4.062                 -1.978
 RC180  Fr= 1--      -0.432                 -0.574                 -0.453
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.02     0.00   0.00  -0.01     0.00  -0.01   0.05
     2   6     0.01   0.00  -0.08     0.00   0.00  -0.01     0.00   0.00  -0.00
     3   6     0.00   0.00   0.01     0.00  -0.00   0.01    -0.00  -0.00  -0.06
     4   6    -0.00  -0.00  -0.01     0.00  -0.00   0.03    -0.00   0.00   0.03
     5   8     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00   0.01     0.00   0.00   0.00     0.00  -0.00  -0.01
     7   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.00   0.02  -0.24    -0.00  -0.01   0.09     0.01   0.05  -0.59
     9   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   1    -0.07  -0.03   0.92    -0.01  -0.00   0.13    -0.00  -0.00   0.05
    11   1    -0.00   0.00  -0.18    -0.00   0.00  -0.13     0.00  -0.01   0.72
    12   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.00  -0.00   0.01    -0.01   0.00  -0.07    -0.00  -0.00  -0.00
    14   1    -0.00  -0.00   0.13     0.01   0.00  -0.32     0.01   0.00  -0.33
    15   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    16   1     0.00  -0.00  -0.16    -0.00   0.00  -0.02    -0.00   0.00   0.10
    17   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    18   1    -0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    21   1    -0.00   0.01   0.00     0.01  -0.15  -0.05     0.00   0.00   0.00
    22   1    -0.00  -0.01  -0.10     0.02   0.10   0.90     0.00   0.00   0.05
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    24   1    -0.00  -0.00  -0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   2994.5604              3007.4540              3018.5284
 Red. masses --      1.0825                 1.0849                 1.0863
 Frc consts  --      5.7191                 5.7815                 5.8318
 IR Inten    --      2.1779                27.6451               130.2110
 RamAct Fr= 1--     12.5062                32.2905                41.7535
  Dep-P Fr= 1--      0.4088                 0.1575                 0.1807
  Dep-U Fr= 1--      0.5804                 0.2722                 0.3062
 Alpha2 Fr= 1--      0.0897                 0.4897                 0.5964
 Beta2  Fr= 1--      1.2097                 1.4650                 2.1305
 AlphaG Fr= 1--      0.0230                -0.4070                -0.4956
 Gamma2 Fr= 1--     -0.4784                 1.7389                -2.8957
 Delta2 Fr= 1--     -2.3005                 2.5505                 0.3059
 Raman1 Fr= 1--      50.025                129.162                167.014
 ROA1   Fr= 1--    -119.546                248.546               -268.200
 CID1   Fr= 1--      -2.390                  1.924                 -1.606
 Raman2 Fr= 1--      14.516                 17.580                 25.566
 ROA2   Fr= 1--       6.921                 21.329                -71.944
 CID2   Fr= 1--       0.477                  1.213                 -2.814
 Raman3 Fr= 1--      29.033                 35.159                 51.132
 ROA3   Fr= 1--    -119.546                248.546               -268.200
 CID3   Fr= 1--      -4.118                  7.069                 -5.245
 RC180  Fr= 1--       0.161                 -0.456                 -0.388
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.05    -0.00  -0.00   0.02     0.00   0.00  -0.03
     2   6    -0.00  -0.00   0.02    -0.00  -0.00   0.00     0.00   0.00  -0.02
     3   6     0.00   0.00   0.02     0.00  -0.00   0.04    -0.00   0.00  -0.03
     4   6     0.00  -0.00  -0.05    -0.00   0.00   0.04     0.00   0.00  -0.03
     5   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.01     0.00  -0.00  -0.05     0.00  -0.00  -0.06
     7   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   1     0.01   0.05  -0.59    -0.00   0.02  -0.27    -0.01  -0.04   0.39
     9   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    10   1     0.02   0.01  -0.23     0.00   0.00  -0.02    -0.02  -0.01   0.26
    11   1    -0.01   0.01  -0.22    -0.00   0.01  -0.52     0.01  -0.00   0.32
    12   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6    -0.00   0.00  -0.02     0.00  -0.00   0.02    -0.00   0.00  -0.01
    14   1    -0.02  -0.01   0.65     0.01  -0.00  -0.50    -0.02  -0.00   0.30
    15   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    16   1     0.00   0.00   0.18    -0.01   0.01   0.60    -0.01   0.02   0.75
    17   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    19   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    20   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    21   1     0.00  -0.08  -0.03    -0.00   0.07   0.02     0.00  -0.04  -0.01
    22   1     0.01   0.03   0.28    -0.01  -0.02  -0.20     0.01   0.01   0.09
    23   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.01    -0.01  -0.01  -0.01
    24   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3092.0572              3736.4656              3760.0278
 Red. masses --      1.0924                 1.0659                 1.0650
 Frc consts  --      6.1535                 8.7680                 8.8709
 IR Inten    --     24.3998               119.5738                38.4894
 RamAct Fr= 1--     99.6570                49.6821                60.9043
  Dep-P Fr= 1--      0.2912                 0.1063                 0.1539
  Dep-U Fr= 1--      0.4511                 0.1921                 0.2668
 Alpha2 Fr= 1--      1.0492                 0.8566                 0.9322
 Beta2  Fr= 1--      7.4920                 1.5907                 2.7080
 AlphaG Fr= 1--     -0.6084                -0.0305                -0.0205
 Gamma2 Fr= 1--     -5.3489                -1.1042                -2.2802
 Delta2 Fr= 1--     -1.7061                -0.3385                -0.7895
 Raman1 Fr= 1--     398.628                198.728                243.617
 ROA1   Fr= 1--    -568.092               -116.840               -244.164
 CID1   Fr= 1--      -1.425                 -0.588                 -1.002
 Raman2 Fr= 1--      89.903                 19.089                 32.496
 ROA2   Fr= 1--    -114.725                -23.794                -48.409
 CID2   Fr= 1--      -1.276                 -1.246                 -1.490
 Raman3 Fr= 1--     179.807                 38.178                 64.992
 ROA3   Fr= 1--    -568.092               -116.840               -244.164
 CID3   Fr= 1--      -3.159                 -3.060                 -3.757
 RC180  Fr= 1--      -0.098                 -0.616                 -0.466
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     7   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     9   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.00   0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   8     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
    13   6     0.01  -0.08  -0.03     0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   1     0.00   0.00   0.05    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.06
    16   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.01
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
    18   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.04  -0.04   0.01
    19   1     0.00  -0.00  -0.00    -0.03   0.09   0.02     0.00  -0.00  -0.00
    20   8    -0.00   0.00   0.00     0.01  -0.06  -0.00    -0.00  -0.00  -0.00
    21   1    -0.08   0.95   0.23     0.00   0.02   0.00    -0.00   0.00   0.00
    22   1     0.01   0.00   0.16     0.00   0.00  -0.01    -0.00  -0.00  -0.00
    23   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.12  -0.17   0.97
    24   1     0.01  -0.02  -0.01    -0.13   0.98   0.06     0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3777.3655              3779.8882              3792.9608
 Red. masses --      1.0658                 1.0658                 1.0660
 Frc consts  --      8.9602                 8.9720                 9.0360
 IR Inten    --     45.7416                49.4016                60.3985
 RamAct Fr= 1--     55.5114                66.4661                78.8577
  Dep-P Fr= 1--      0.1760                 0.2081                 0.1775
  Dep-U Fr= 1--      0.2994                 0.3445                 0.3014
 Alpha2 Fr= 1--      0.8028                 0.8834                 1.1361
 Beta2  Fr= 1--      2.7696                 3.8160                 3.9618
 AlphaG Fr= 1--     -0.2624                -0.2201                 0.3347
 Gamma2 Fr= 1--     -1.5006                 0.8609                 1.8017
 Delta2 Fr= 1--      1.0449                 1.8559                -0.3430
 Raman1 Fr= 1--     222.046                265.865                315.431
 ROA1   Fr= 1--    -110.621                142.038                161.984
 CID1   Fr= 1--      -0.498                  0.534                  0.514
 Raman2 Fr= 1--      33.235                 45.792                 47.542
 ROA2   Fr= 1--     -44.373                  5.814                 45.983
 CID2   Fr= 1--      -1.335                  0.127                  0.967
 Raman3 Fr= 1--      66.470                 91.585                 95.084
 ROA3   Fr= 1--    -110.621                142.038                161.984
 CID3   Fr= 1--      -1.664                  1.551                  1.704
 RC180  Fr= 1--      -0.401                 -0.311                 -0.397
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.06   0.02  -0.02
     8   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   8     0.00   0.00  -0.00    -0.04  -0.05   0.01    -0.00  -0.00   0.00
    10   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   8     0.02  -0.06  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    16   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    17   1     0.01  -0.01   0.00    -0.03   0.01  -0.01     0.92  -0.28   0.27
    18   1    -0.00  -0.00   0.00     0.66   0.73  -0.15     0.02   0.02  -0.01
    19   1    -0.29   0.92   0.22    -0.00   0.00   0.00     0.00  -0.01  -0.00
    20   8    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    21   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   1     0.00  -0.00   0.00     0.01  -0.01   0.05    -0.00   0.00  -0.01
    24   1     0.01  -0.10  -0.01    -0.00   0.00   0.00    -0.00   0.01   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  8 and mass  15.99491
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  8 and mass  15.99491
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Molecular mass:   180.06339 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1376.673832454.181313661.00849
           X            0.99998  -0.00613   0.00178
           Y            0.00614   0.99997  -0.00485
           Z           -0.00175   0.00486   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06292     0.03529     0.02366
 Rotational constants (GHZ):           1.31094     0.73537     0.49296
 Zero-point vibrational energy     517141.2 (Joules/Mol)
                                  123.59972 (Kcal/Mol)
 Warning -- explicit consideration of  22 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     97.63   153.77   170.52   236.73   301.94
          (Kelvin)            332.60   358.12   408.01   427.25   475.28
                              486.02   535.68   565.68   573.06   581.31
                              605.62   642.19   689.12   720.36   793.27
                              860.82   891.98   958.15  1294.35  1435.48
                             1453.70  1472.46  1509.95  1553.43  1568.83
                             1581.63  1588.58  1603.18  1610.14  1634.72
                             1670.01  1710.91  1767.29  1797.65  1833.12
                             1842.39  1880.47  1924.15  1937.21  1948.85
                             1967.30  1997.71  2019.50  2046.54  2057.72
                             2067.47  2078.92  2086.31  2180.63  4281.82
                             4286.15  4298.35  4308.50  4327.06  4342.99
                             4448.78  5375.94  5409.84  5434.79  5438.42
                             5457.22
 
 Zero-point correction=                           0.196969 (Hartree/Particle)
 Thermal correction to Energy=                    0.209276
 Thermal correction to Enthalpy=                  0.210221
 Thermal correction to Gibbs Free Energy=         0.159487
 Sum of electronic and zero-point Energies=           -687.312263
 Sum of electronic and thermal Energies=              -687.299956
 Sum of electronic and thermal Enthalpies=            -687.299012
 Sum of electronic and thermal Free Energies=         -687.349745
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  131.323             47.395            106.779
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.471
 Rotational               0.889              2.981             30.893
 Vibrational            129.546             41.433             34.415
 Vibration     1          0.598              1.970              4.215
 Vibration     2          0.606              1.944              3.325
 Vibration     3          0.609              1.934              3.124
 Vibration     4          0.623              1.886              2.497
 Vibration     5          0.642              1.826              2.045
 Vibration     6          0.653              1.793              1.870
 Vibration     7          0.662              1.765              1.738
 Vibration     8          0.682              1.704              1.512
 Vibration     9          0.691              1.679              1.434
 Vibration    10          0.713              1.615              1.258
 Vibration    11          0.718              1.600              1.223
 Vibration    12          0.744              1.529              1.070
 Vibration    13          0.760              1.485              0.988
 Vibration    14          0.765              1.474              0.969
 Vibration    15          0.769              1.461              0.948
 Vibration    16          0.783              1.425              0.889
 Vibration    17          0.806              1.369              0.807
 Vibration    18          0.835              1.297              0.713
 Vibration    19          0.856              1.249              0.656
 Vibration    20          0.907              1.137              0.541
 Vibration    21          0.956              1.035              0.453
 Vibration    22          0.980              0.990              0.417
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.437799D-73        -73.358726       -168.914708
 Total V=0       0.173981D+18         17.240501         39.697720
 Vib (Bot)       0.366157D-87        -87.436332       -201.329595
 Vib (Bot)    1  0.304036D+01          0.482925          1.111975
 Vib (Bot)    2  0.191756D+01          0.282749          0.651054
 Vib (Bot)    3  0.172489D+01          0.236761          0.545163
 Vib (Bot)    4  0.122694D+01          0.088824          0.204525
 Vib (Bot)    5  0.946486D+00         -0.023886         -0.054999
 Vib (Bot)    6  0.851576D+00         -0.069777         -0.160667
 Vib (Bot)    7  0.784521D+00         -0.105395         -0.242682
 Vib (Bot)    8  0.676684D+00         -0.169614         -0.390551
 Vib (Bot)    9  0.641523D+00         -0.192788         -0.443911
 Vib (Bot)   10  0.565501D+00         -0.247567         -0.570044
 Vib (Bot)   11  0.550452D+00         -0.259281         -0.597016
 Vib (Bot)   12  0.488218D+00         -0.311386         -0.716993
 Vib (Bot)   13  0.455586D+00         -0.341430         -0.786172
 Vib (Bot)   14  0.448058D+00         -0.348666         -0.802833
 Vib (Bot)   15  0.439843D+00         -0.356703         -0.821338
 Vib (Bot)   16  0.416851D+00         -0.380019         -0.875027
 Vib (Bot)   17  0.385339D+00         -0.414157         -0.953631
 Vib (Bot)   18  0.349494D+00         -0.456561         -1.051270
 Vib (Bot)   19  0.328066D+00         -0.484038         -1.114539
 Vib (Bot)   20  0.284262D+00         -0.546281         -1.257859
 Vib (Bot)   21  0.250008D+00         -0.602045         -1.386261
 Vib (Bot)   22  0.235897D+00         -0.627278         -1.444360
 Vib (V=0)       0.145510D+04          3.162894          7.282832
 Vib (V=0)    1  0.358120D+01          0.554028          1.275697
 Vib (V=0)    2  0.248168D+01          0.394745          0.908934
 Vib (V=0)    3  0.229590D+01          0.360952          0.831124
 Vib (V=0)    4  0.182491D+01          0.261242          0.601531
 Vib (V=0)    5  0.157044D+01          0.196021          0.451354
 Vib (V=0)    6  0.148751D+01          0.172461          0.397105
 Vib (V=0)    7  0.143031D+01          0.155430          0.357890
 Vib (V=0)    8  0.134137D+01          0.127548          0.293690
 Vib (V=0)    9  0.131336D+01          0.118383          0.272587
 Vib (V=0)   10  0.125485D+01          0.098590          0.227012
 Vib (V=0)   11  0.124364D+01          0.094694          0.218041
 Vib (V=0)   12  0.119883D+01          0.078756          0.181342
 Vib (V=0)   13  0.117643D+01          0.070566          0.162485
 Vib (V=0)   14  0.117138D+01          0.068699          0.158185
 Vib (V=0)   15  0.116593D+01          0.066672          0.153518
 Vib (V=0)   16  0.115097D+01          0.061065          0.140607
 Vib (V=0)   17  0.113126D+01          0.053562          0.123330
 Vib (V=0)   18  0.111004D+01          0.045338          0.104394
 Vib (V=0)   19  0.109802D+01          0.040610          0.093508
 Vib (V=0)   20  0.107516D+01          0.031472          0.072466
 Vib (V=0)   21  0.105902D+01          0.024904          0.057345
 Vib (V=0)   22  0.105285D+01          0.022368          0.051504
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.949712D+08          7.977592         18.369084
 Rotational      0.125897D+07          6.100015         14.045803
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333                   3332222                                    11111111111111111111111111111                                  
   77777                   0009999                                    544444433333322221111110000009  9    6655544443333322222 111   
   98763                   9109877                                    154332086543087428631109984219  0    6295074209973398431 6106  
   30706                   2975896                                    605702487567714989169449009308  0    6081196148328074910 5978  
 
   XXXXX                   XXXXXXX                                    XXXXXXXXXXXXXXXXXXXXXXXXXXXXXX  X    XXXXXXXXXXXXXXXXXXX XXXX  
   XXXXX                   XXX  X                                      X  X  X  XX XX   X XXXXX XXXX       X  XX X XX X X X          
   XXXXX                    XX  X                                      X  X     XX X    X XXXXX X XX          XX   XX X X            
   XXXXX                    X                                          X  X        X    X XXXXX   XX           X   XX X X            
   XX  X                    X                                          X           X      XXXXX    X           X   XX X X            
   X   X                    X                                          X           X      XXXXX    X           X   XX X              
       X                    X                                          X           X      X XXX    X           X   XX X              
       X                    X                                          X                  X XXX    X           X   XX X              
       X                    X                                          X                  X XXX    X           X   X                 
       X                    X                                                             X  XX    X           X   X                 
       X                    X                                                             X  XX    X           X   X                 
                            X                                                             X  XX    X           X   X                 
                                                                                             XX                X   X                 
                                                                                             XX                    X                 
                                                                                             XX                    X                 
                                                                                             XX                    X                 
                                                                                             XX                    X                 
                                                                                             XX                                      
                                                                                              X                                      
                                                                                              X                                      
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000010123    0.000039524    0.000009867
      2        6          -0.000043983    0.000004406   -0.000021617
      3        6           0.000012114   -0.000013939   -0.000005191
      4        6           0.000044431    0.000051519   -0.000012009
      5        8          -0.000062337   -0.000030079    0.000007063
      6        6           0.000053374   -0.000000236    0.000015720
      7        8           0.000003876   -0.000020702   -0.000011640
      8        1          -0.000000883   -0.000001263   -0.000008741
      9        8           0.000027652   -0.000011234    0.000007127
     10        1           0.000001535   -0.000001794    0.000007019
     11        1          -0.000003177    0.000003701    0.000004390
     12        8          -0.000009518   -0.000005354   -0.000004296
     13        6           0.000000173   -0.000002943   -0.000000821
     14        1          -0.000004902   -0.000006538    0.000004942
     15        8          -0.000020858   -0.000013476    0.000008050
     16        1          -0.000001748   -0.000003312   -0.000002872
     17        1           0.000001416   -0.000003521   -0.000001196
     18        1           0.000001339   -0.000000168    0.000000083
     19        1           0.000001935   -0.000000762    0.000001211
     20        8          -0.000001702    0.000003951   -0.000000599
     21        1           0.000002953    0.000001151    0.000003038
     22        1           0.000002687    0.000005495   -0.000000024
     23        1           0.000004179    0.000001510   -0.000005942
     24        1           0.000001566    0.000004065    0.000006439
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000062337 RMS     0.000016714
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.110382D+03  0.845653D+00 -0.232124D+00
      2   0.845653D+00  0.994313D+02 -0.149274D+01
      3  -0.232124D+00 -0.149274D+01  0.834941D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.138840D+01 -0.414226D+01  0.601692D+01
      2  -0.339876D+01 -0.443555D-01  0.498425D+01
      3  -0.549604D+01 -0.104899D+02  0.117446D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.286068D+02 -0.119411D+02 -0.159738D+02
      2  -0.229837D+02  0.126553D+02  0.107080D+02
      3  -0.562304D+01 -0.714246D+00  0.526573D+01
      4  -0.194208D+02 -0.648595D+01 -0.109163D+01
      5  -0.794071D+01 -0.245552D+01  0.859932D+01
      6  -0.435034D+00  0.124130D+02 -0.110531D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.281592D+01  0.222799D+01 -0.848535D+00  0.164692D+01  0.204653D+01
      2   0.222799D+01  0.190018D+01  0.132392D+00  0.204653D+01 -0.275926D+01
      3  -0.848535D+00  0.132392D+00 -0.457369D+00  0.242928D+00 -0.116895D+01
                 6             7             8             9            10 
      1   0.242928D+00 -0.110741D+01  0.419273D+00 -0.388935D+00  0.235871D+01
      2  -0.116895D+01  0.419273D+00 -0.190462D+01 -0.585298D+00 -0.157125D+01
      3   0.550511D+00 -0.388935D+00 -0.585298D+00  0.773916D+01  0.107690D+01
                11            12            13            14            15 
      1  -0.157125D+01  0.107690D+01 -0.234260D+01 -0.234452D+01 -0.508963D+00
      2  -0.171221D+01 -0.242755D+00 -0.234452D+01  0.194561D+01  0.834889D+00
      3  -0.242755D+00 -0.815466D+00 -0.508963D+00  0.834889D+00  0.980740D+00
                16            17            18            19            20 
      1   0.175706D+01 -0.561000D+00  0.300969D+00  0.170405D+01 -0.209492D+01
      2  -0.561000D+00  0.103321D+01  0.427199D+00 -0.209492D+01 -0.182555D+01
      3   0.300969D+00  0.427199D+00 -0.811348D+01  0.971530D+00  0.605345D-01
                21            22            23            24            25 
      1   0.971530D+00 -0.312877D+01 -0.239714D+01  0.356082D-01  0.164367D+01
      2   0.605345D-01 -0.239714D+01  0.261833D+01  0.918692D+00  0.152583D+00
      3   0.736630D+00  0.356082D-01  0.918692D+00  0.104804D+01  0.123300D+00
                26            27            28            29            30 
      1   0.152583D+00  0.123300D+00 -0.125723D+01  0.302588D+01 -0.115037D+01
      2   0.156653D+01  0.497077D+00  0.302588D+01  0.121809D+01  0.996614D-01
      3   0.497077D+00 -0.746220D+01 -0.115037D+01  0.996614D-01 -0.868015D+00
                31            32            33            34            35 
      1   0.337372D+01  0.234070D+01  0.200757D+00 -0.146502D+01  0.302184D+00
      2   0.234070D+01 -0.353298D+01 -0.974826D+00  0.302184D+00 -0.144416D+01
      3   0.200757D+00 -0.974826D+00 -0.672714D+00 -0.553780D+00  0.159095D-01
                36            37            38            39            40 
      1  -0.553780D+00  0.260234D+01 -0.253433D+01  0.654991D+00 -0.399937D+01
      2   0.159095D-01 -0.253433D+01 -0.191400D+00 -0.440288D+00 -0.884916D+00
      3   0.780271D+01  0.654991D+00 -0.440288D+00  0.937519D-01 -0.121916D+00
                41            42            43            44            45 
      1  -0.884916D+00 -0.121916D+00  0.289365D+01  0.262115D+00  0.205116D+00
      2  -0.318918D+01  0.101740D+01  0.262115D+00  0.126012D+01 -0.835215D+00
      3   0.101740D+01  0.443263D+00  0.205116D+00 -0.835215D+00 -0.916243D+00
                46            47            48            49            50 
      1  -0.358597D+01  0.344311D+00 -0.306059D+00  0.279540D+01  0.214316D+01
      2   0.344311D+00  0.194322D+01  0.701283D+00  0.214316D+01 -0.206892D+01
      3  -0.306059D+00  0.701283D+00 -0.233297D+00  0.134225D+00 -0.708110D+00
                51            52            53            54            55 
      1   0.134225D+00 -0.154188D+01  0.200908D+00  0.165228D+00  0.401546D+01
      2  -0.708110D+00  0.200908D+00 -0.118940D+01  0.279495D-02 -0.755818D+00
      3  -0.162268D+01  0.165228D+00  0.279495D-02  0.780231D+01  0.131316D+01
                56            57            58            59            60 
      1  -0.755818D+00  0.131316D+01 -0.261565D+00 -0.254452D+00 -0.254571D+00
      2   0.164788D+01 -0.141761D+00 -0.254452D+00  0.759700D+01  0.137373D+01
      3  -0.141761D+00  0.749215D+00 -0.254571D+00  0.137373D+01 -0.145156D+00
                61            62            63            64            65 
      1   0.199177D+01 -0.975893D+00  0.324405D-01  0.477290D+00 -0.282057D+00
      2  -0.975893D+00  0.311089D+01  0.166084D+01 -0.282057D+00 -0.330986D+00
      3   0.324405D-01  0.166084D+01  0.418329D+00 -0.991828D+00 -0.331259D-02
                66            67            68            69            70 
      1  -0.991828D+00 -0.183065D+00 -0.362118D+00  0.292002D-01 -0.160078D+01
      2  -0.331259D-02 -0.362118D+00  0.829131D+00 -0.115001D+01  0.114977D+00
      3   0.133981D+00  0.292002D-01 -0.115001D+01  0.327296D+00 -0.416998D-01
                71            72            73            74            75 
      1   0.114977D+00 -0.416998D-01 -0.412434D+01  0.312160D+01 -0.114296D+01
      2  -0.183873D+01  0.889342D+00  0.312160D+01  0.772984D+00 -0.583821D-01
      3   0.889342D+00 -0.748812D+01 -0.114296D+01 -0.583821D-01  0.682941D+00
                76            77            78            79            80 
      1   0.596018D+01 -0.329276D+00  0.341325D+00 -0.291759D+01  0.157576D+00
      2  -0.329276D+00  0.329165D+01 -0.952680D+00  0.157576D+00 -0.109070D+01
      3   0.341325D+00 -0.952680D+00  0.535001D+00 -0.146069D+01  0.554399D+00
                81            82            83            84            85 
      1  -0.146069D+01 -0.735741D+00  0.310605D+00  0.116691D+01  0.287481D+00
      2   0.554399D+00  0.310605D+00  0.249503D+00  0.362732D-01  0.247872D+00
      3  -0.321422D+00  0.116691D+01  0.362732D-01 -0.272276D+00  0.576768D-01
                86            87            88            89            90 
      1   0.247872D+00  0.576768D-01  0.198630D+01  0.105392D+00 -0.848797D+00
      2  -0.476375D+00  0.108500D+01  0.105392D+00  0.148585D+01 -0.256459D+00
      3   0.108500D+01 -0.457767D+00 -0.848797D+00 -0.256459D+00  0.773973D+01
                91            92            93            94            95 
      1  -0.213083D+00  0.228663D+00  0.107511D+01  0.270305D+00  0.466358D+00
      2   0.228663D+00  0.408088D+00  0.698525D-01  0.466358D+00 -0.429459D+00
      3   0.107511D+01  0.698525D-01 -0.873783D-01  0.776654D-01  0.979872D+00
                96            97            98            99           100 
      1   0.776654D-01  0.176582D+01  0.490347D-01  0.332184D+00  0.586108D+01
      2   0.979872D+00  0.490347D-01  0.157922D+01  0.218795D+00  0.201280D+01
      3  -0.235979D+00  0.332184D+00  0.218795D+00  0.738364D+01 -0.881482D+00
               101           102           103           104           105 
      1   0.201280D+01 -0.881482D+00  0.970153D+00  0.301417D+01  0.117851D+00
      2   0.353534D+01  0.140138D+00  0.301417D+01 -0.248537D+01 -0.101288D+01
      3   0.140138D+00 -0.598512D-01  0.117851D+00 -0.101288D+01 -0.723936D+00
               106           107           108           109           110 
      1  -0.178945D+01 -0.444751D+00  0.114015D+01  0.200554D+01 -0.291727D+01
      2  -0.444751D+00 -0.214494D+01  0.601977D+00 -0.291727D+01  0.459192D+00
      3   0.114015D+01  0.601977D+00 -0.200374D+00  0.183420D+01 -0.342984D+00
               111           112           113           114           115 
      1   0.183420D+01 -0.247843D+01 -0.163428D+01 -0.552167D-01  0.273722D+01
      2  -0.342984D+00 -0.163428D+01  0.665585D+01  0.135606D+01 -0.830773D-01
      3   0.100812D+01 -0.552167D-01  0.135606D+01 -0.136356D+00 -0.235987D+00
               116           117           118           119           120 
      1  -0.830773D-01 -0.235987D+00  0.909174D+00 -0.583212D+00 -0.111146D+01
      2   0.136862D+01  0.577903D+00 -0.583212D+00 -0.242731D-01 -0.239703D-01
      3   0.577903D+00 -0.759118D+01 -0.111146D+01 -0.239703D-01  0.604979D+00
               121           122           123           124           125 
      1  -0.597546D+00 -0.493810D-01 -0.858682D-01 -0.222636D+01 -0.108393D+00
      2  -0.493810D-01  0.247232D+00 -0.101487D+01 -0.108393D+00 -0.132645D+01
      3  -0.858682D-01 -0.101487D+01 -0.458716D-01  0.874187D+00 -0.474986D+00
               126           127           128           129           130 
      1   0.874187D+00 -0.415977D+01 -0.255412D+01  0.141327D+00 -0.265078D+01
      2  -0.474986D+00 -0.255412D+01 -0.270002D+01  0.137031D-01 -0.280507D+01
      3  -0.743927D+01  0.141327D+00  0.137031D-01 -0.155433D+00 -0.308286D+00
               131           132           133           134           135 
      1  -0.280507D+01 -0.308286D+00 -0.506997D+00 -0.730966D+00 -0.223005D+00
      2  -0.506252D+01 -0.368287D+00 -0.730966D+00 -0.160858D+01  0.728482D+00
      3  -0.368287D+00  0.981767D+00 -0.223005D+00  0.728482D+00 -0.490639D+01
               136           137           138           139           140 
      1   0.856527D-01 -0.351784D+00 -0.120596D+01 -0.377121D+00 -0.546187D+00
      2  -0.351784D+00 -0.416605D+00 -0.763812D-01 -0.546187D+00 -0.352260D+00
      3  -0.120596D+01 -0.763812D-01 -0.238221D+00  0.284138D-01 -0.102514D+01
               141           142           143           144           145 
      1   0.284138D-01 -0.210705D+01 -0.326940D+00 -0.890419D+00 -0.540304D+01
      2  -0.102514D+01 -0.326940D+00 -0.154018D+01 -0.114608D+01  0.293614D+01
      3  -0.176791D+00 -0.890419D+00 -0.114608D+01 -0.774875D+01 -0.512888D+00
               146           147           148           149           150 
      1   0.293614D+01 -0.512888D+00  0.203078D+01 -0.163382D+01  0.131966D+00
      2  -0.332927D+01  0.654874D-01 -0.163382D+01  0.222749D+01 -0.254405D+00
      3   0.654874D-01 -0.100814D+01  0.131966D+00 -0.254405D+00  0.620037D+00
               151           152           153           154           155 
      1  -0.119527D+01  0.599668D+00 -0.717180D+00 -0.584965D+01 -0.191526D+01
      2   0.599668D+00 -0.933483D+00  0.638621D+00 -0.191526D+01 -0.182508D+01
      3  -0.717180D+00  0.638621D+00 -0.141914D+00  0.299399D-01  0.286507D-01
               156           157           158           159           160 
      1   0.299399D-01 -0.412692D+01 -0.180041D+01 -0.161144D+00  0.788270D+00
      2   0.286507D-01 -0.180041D+01 -0.233741D+01  0.219732D+00  0.172397D+00
      3  -0.938038D+00 -0.161144D+00  0.219732D+00 -0.593464D+00 -0.824027D+00
               161           162           163           164           165 
      1   0.172397D+00 -0.824027D+00 -0.451619D+00  0.577051D+00  0.207781D+00
      2   0.400897D+00 -0.240931D+00  0.577051D+00 -0.110598D+01 -0.590868D-01
      3  -0.240931D+00 -0.786216D-01  0.207781D+00 -0.590868D-01  0.525265D-01
               166           167           168           169           170 
      1   0.186218D+01  0.400893D+00 -0.983455D-01  0.466469D+00 -0.888917D-02
      2   0.400893D+00  0.761496D+01  0.486250D+00 -0.888917D-02  0.122166D+01
      3  -0.983455D-01  0.486250D+00  0.107291D+01  0.168453D+00  0.868012D+00
               171           172           173           174           175 
      1   0.168453D+00  0.823691D+01  0.834615D+00 -0.157715D+01 -0.250116D+00
      2   0.868012D+00  0.834615D+00  0.100490D+01  0.105635D+00  0.251831D+01
      3   0.141279D+00 -0.157715D+01  0.105635D+00  0.196229D+00  0.179320D+00
               176           177           178           179           180 
      1   0.251831D+01  0.179320D+00 -0.261321D+01 -0.196480D+00  0.185323D+01
      2  -0.430647D+01 -0.622722D+00 -0.196480D+00 -0.637110D+00  0.137152D+00
      3  -0.622722D+00 -0.889784D+00  0.185323D+01  0.137152D+00 -0.664454D+00
               181           182           183           184           185 
      1   0.591090D+00 -0.122391D+01 -0.570193D+00 -0.222433D+01  0.221746D+01
      2  -0.122391D+01  0.638306D+00  0.102234D+00  0.221746D+01 -0.920494D+01
      3  -0.570193D+00  0.102234D+00  0.245681D+00  0.110988D+00 -0.762140D+00
               186           187           188           189           190 
      1   0.110988D+00 -0.115342D+01  0.409116D+00  0.473011D+00  0.870107D-01
      2  -0.762140D+00  0.409116D+00 -0.151599D+01 -0.129138D+01  0.291723D+00
      3  -0.104373D+01  0.473011D+00 -0.129138D+01  0.779939D-01  0.122812D+01
               191           192           193           194           195 
      1   0.291723D+00  0.122812D+01  0.817512D+00  0.242242D+00  0.952801D-02
      2   0.307908D-01  0.395475D-01  0.242242D+00 -0.775730D+00  0.998623D+00
      3   0.395475D-01 -0.516181D-01  0.952801D-02  0.998623D+00  0.316142D+00
               196           197           198           199           200 
      1   0.211306D+01 -0.211783D+00  0.103277D+01 -0.466434D+00 -0.216866D+00
      2  -0.211783D+00  0.134573D+01 -0.989484D+00 -0.216866D+00  0.860211D-01
      3   0.103277D+01 -0.989484D+00  0.866370D+01  0.406609D+00 -0.121431D+00
               201           202           203           204           205 
      1   0.406609D+00 -0.305543D+00 -0.237422D+00  0.177195D+00  0.169912D+01
      2  -0.121431D+00 -0.237422D+00 -0.134079D+01  0.834588D+00  0.841597D+00
      3   0.325523D+00  0.177195D+00  0.834588D+00 -0.105684D+01 -0.969061D+00
               206           207           208           209           210 
      1   0.841597D+00 -0.969061D+00  0.128503D+00  0.108942D+01  0.192295D+00
      2   0.251330D+01 -0.232238D+01  0.108942D+01 -0.433094D+00 -0.850425D-01
      3  -0.232238D+01  0.555703D+01  0.192295D+00 -0.850425D-01  0.355524D+00
               211           212           213           214           215 
      1   0.291152D+01 -0.358683D+00 -0.280336D+00  0.382008D+00 -0.138648D+00
      2  -0.358683D+00  0.529441D+01 -0.898337D-01 -0.138648D+00  0.288314D+00
      3  -0.280336D+00 -0.898337D-01  0.925357D+00  0.452536D+00  0.323707D+00
               216 
      1   0.452536D+00
      2   0.323707D+00
      3  -0.253454D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.113265D+01  0.164711D-01 -0.380362D+00 -0.116980D+01  0.201305D+01
      2   0.796332D+00 -0.201898D-01  0.174044D+01  0.482194D+00  0.151445D+01
      3  -0.146532D+01  0.113471D+00 -0.872437D+00  0.608261D+01 -0.154907D+00
                 6             7             8             9            10 
      1   0.473468D-02  0.487668D+00  0.409228D+01 -0.790779D+01 -0.734841D+00
      2   0.126989D+00 -0.290311D+01  0.259496D-01 -0.499634D+01 -0.217927D+01
      3  -0.352668D+00 -0.744708D+00 -0.128567D+01 -0.896374D+00 -0.210120D+01
                11            12            13            14            15 
      1  -0.150420D+01 -0.638153D+00 -0.136221D+00 -0.146124D+01 -0.226113D+01
      2  -0.185694D+00  0.871304D+00  0.547235D+00 -0.139717D+01 -0.144966D+01
      3  -0.584089D+01 -0.805798D-01  0.295400D+00  0.288059D+01  0.219067D+01
                16            17            18            19            20 
      1  -0.918300D+00  0.210746D+01 -0.386881D+00 -0.179274D+01  0.841309D-01
      2  -0.379061D+01 -0.795590D+00  0.114939D+02  0.715225D-01  0.101247D+01
      3  -0.422123D+00  0.164505D+01  0.879304D+00  0.264182D+01 -0.388607D+01
                21            22            23            24            25 
      1   0.456039D+00 -0.758383D+00 -0.121257D+01 -0.125906D+01  0.299998D+00
      2   0.623460D+00  0.556587D+00  0.833134D+00 -0.748929D-01 -0.422010D+01
      3   0.407932D+00  0.256292D+01 -0.396939D+01 -0.129118D+01  0.162030D+01
                26            27            28            29            30 
      1   0.236583D+01  0.523823D+01 -0.136050D+01  0.368077D+00  0.870068D+00
      2   0.392849D+00 -0.420307D+01 -0.202555D+01  0.102280D+01 -0.144866D+01
      3  -0.101189D+01 -0.390611D+00 -0.410725D+01 -0.767965D+01  0.253862D+00
                31            32            33            34            35 
      1  -0.576596D+00  0.668304D-01 -0.869532D+00 -0.671474D+00  0.343098D+01
      2  -0.180844D+00 -0.116655D+01 -0.240763D+01 -0.532284D+01  0.857234D+00
      3  -0.331386D+01  0.567499D+01  0.188377D+01  0.838582D+00  0.919068D+00
                36            37            38            39            40 
      1   0.391298D+01  0.183293D+01 -0.134682D-01 -0.908126D+00  0.387363D+00
      2   0.126763D+02  0.360220D+00  0.108435D+00  0.925554D+01 -0.239330D+00
      3   0.578578D+00 -0.482737D+01 -0.197707D+01 -0.143937D+01  0.168289D+02
                41            42            43            44            45 
      1   0.760336D+00 -0.425475D+01  0.157661D+01  0.183823D+01  0.516073D+00
      2  -0.815959D-01  0.552913D+00 -0.644244D+01 -0.125524D+01  0.986039D+00
      3   0.196345D+01 -0.255736D-01 -0.460011D+01 -0.744583D+00 -0.264465D+00
                46            47            48            49            50 
      1  -0.234266D+00 -0.256203D+00 -0.224852D+00 -0.118910D+01  0.818005D-01
      2   0.121623D+01  0.423293D+00 -0.325785D+01 -0.104623D+00  0.222737D+01
      3   0.658372D+01  0.357754D+01  0.444058D+00  0.662812D+00 -0.312964D+01
                51            52            53            54            55 
      1  -0.971721D+00 -0.110436D+01  0.357357D+01  0.828558D+01 -0.387428D+01
      2   0.238874D+01 -0.412982D+01 -0.108300D+01 -0.129346D+02 -0.316146D+01
      3  -0.179650D+01  0.200232D+01 -0.166385D+01 -0.605473D+00  0.139263D+02
                56            57            58            59            60 
      1   0.143954D+01 -0.126801D+01  0.185572D+01 -0.354234D+01 -0.564333D+01
      2   0.225488D+01  0.117411D+01  0.487536D+00 -0.205646D+01 -0.440767D+00
      3  -0.485484D+01  0.266836D+01  0.377505D+01  0.804765D+01  0.344784D+00
                61            62            63            64            65 
      1  -0.913526D+00  0.735034D+00 -0.301968D+01  0.120423D+01 -0.280984D-01
      2  -0.427517D+01 -0.302031D+00 -0.106133D+01  0.103529D+01 -0.315021D+00
      3   0.566852D+01  0.125155D+01  0.165320D+01  0.510025D+00 -0.143385D+01
                66            67            68            69            70 
      1  -0.433674D+00  0.748986D-01  0.133072D+01 -0.244970D+00 -0.224545D+00
      2   0.662316D+00 -0.207237D+00  0.533231D+00  0.461871D-01 -0.362057D+01
      3  -0.120177D+01  0.507194D+00  0.163460D+00 -0.724511D+00 -0.226971D+01
                71            72            73            74            75 
      1   0.327985D+01  0.914631D+01 -0.754482D+00  0.116460D+00  0.121646D+01
      2  -0.447953D+00  0.515849D+01  0.482520D+01  0.104816D+01  0.433171D+01
      3  -0.109952D+01  0.814089D+00  0.982245D+01 -0.230101D+00 -0.246502D+00
                76            77            78            79            80 
      1  -0.171216D+01 -0.616693D+00 -0.240220D+01  0.143104D+01  0.314475D+01
      2   0.854164D+00  0.278086D+01 -0.329712D+01 -0.768898D+00 -0.180893D+01
      3   0.732913D+01  0.151079D+02 -0.213343D+01 -0.557716D+00 -0.468313D+01
                81            82            83            84            85 
      1   0.459684D+00  0.199086D-02  0.198902D+00 -0.296329D-01  0.440515D+00
      2   0.262304D+01 -0.209272D+01 -0.643935D-01  0.401162D+00  0.943563D-01
      3   0.976416D+00  0.557309D+00 -0.355737D+00  0.121844D+00  0.143501D+01
                86            87            88            89            90 
      1  -0.439824D+00 -0.106372D+01  0.313471D+00  0.380671D+01 -0.123728D+01
      2  -0.189776D+01  0.870084D+00 -0.291441D+01  0.301144D+00 -0.127275D+02
      3  -0.605150D+00  0.160580D+01  0.268374D+00  0.278890D+01 -0.125110D+00
                91            92            93            94            95 
      1  -0.104401D+01  0.211252D+00  0.484689D+00  0.193585D+00 -0.136484D+01
      2   0.118279D+01  0.256712D+00 -0.156442D-01  0.598831D+00  0.375925D+00
      3  -0.300323D+00 -0.874918D+00  0.828231D+00  0.962223D+00  0.309303D+00
                96            97            98            99           100 
      1  -0.289468D+00 -0.317898D+00  0.374811D+01 -0.632381D+01  0.216371D+01
      2  -0.590611D+00 -0.426843D+01  0.240802D+00  0.469398D+01 -0.170550D+01
      3  -0.545428D+00  0.126970D+01 -0.107039D+01 -0.419761D-01  0.866459D+01
               101           102           103           104           105 
      1  -0.169949D+00 -0.185805D+01  0.780700D+00  0.401177D+01 -0.235961D+01
      2  -0.750629D+00  0.480288D+01  0.206323D+00 -0.182658D+01  0.985969D+00
      3  -0.997432D+01 -0.145088D+01 -0.885546D+00  0.123162D+02  0.219034D+01
               106           107           108           109           110 
      1  -0.170986D+01  0.345631D+01  0.165761D+01  0.160330D+01 -0.918202D-01
      2  -0.141156D+01  0.885559D+00 -0.140731D+01  0.335375D+01 -0.292551D+00
      3  -0.381644D+01  0.397133D+01  0.800827D+00  0.295592D+01  0.280919D+01
               111           112           113           114           115 
      1   0.173362D+01 -0.154809D+01  0.704520D+01 -0.120460D+01 -0.137016D+01
      2   0.163097D+01  0.182746D+00  0.326862D+01 -0.166776D+01 -0.509116D+01
      3  -0.140690D+01  0.114651D+02 -0.140834D+02 -0.319211D+01 -0.297576D+01
               116           117           118           119           120 
      1   0.280107D+01 -0.126879D+02 -0.442875D+00  0.558133D-01  0.577700D+00
      2   0.183210D+01 -0.168506D+02 -0.105884D+01 -0.350021D+00  0.131632D+01
      3  -0.372637D+01 -0.131714D+01  0.530919D+00 -0.941665D-01  0.900715D+00
               121           122           123           124           125 
      1  -0.215650D+00 -0.968425D+00 -0.405920D+00  0.394329D+00  0.338823D+01
      2  -0.140692D+00 -0.122046D+01 -0.423125D-01 -0.353691D+01 -0.483521D+00
      3   0.189807D+01 -0.104512D+01  0.144527D+01  0.196231D+01  0.219005D+01
               126           127           128           129           130 
      1  -0.403040D+01  0.108523D+00 -0.291981D+00 -0.196030D+01  0.483744D+00
      2  -0.100895D+02 -0.414666D+00 -0.149515D+01  0.573207D+01  0.369540D+00
      3  -0.277982D+00  0.552985D+01 -0.560596D+01  0.739170D+00  0.542395D+01
               131           132           133           134           135 
      1   0.621081D-01 -0.325762D+01  0.103261D+01  0.474750D+01 -0.126252D+02
      2   0.540636D+00 -0.651592D+00 -0.108937D+01 -0.279840D+01  0.109504D+02
      3  -0.515073D+01 -0.532850D+00  0.142557D+00 -0.103423D+01  0.261535D+01
               136           137           138           139           140 
      1  -0.154430D+01  0.716259D-01 -0.380794D+00  0.613110D+00 -0.117215D+01
      2   0.218474D+01 -0.111551D-01  0.532273D+00  0.189655D+00  0.112099D+01
      3  -0.689128D+00 -0.124514D+01  0.183554D+01  0.509994D+00  0.891985D+00
               141           142           143           144           145 
      1  -0.386980D+00 -0.637370D+00  0.274925D+01 -0.894412D+01  0.302260D+01
      2  -0.341029D-01 -0.323764D+01  0.121939D+01  0.113302D+02  0.292852D+01
      3  -0.143633D+01  0.306760D+01 -0.179531D+01  0.563085D+00 -0.144588D+02
               146           147           148           149           150 
      1  -0.126866D+01  0.322239D+01 -0.976038D+00  0.125901D+01 -0.161418D+01
      2  -0.158255D+01  0.240020D+01 -0.114764D+01  0.964674D+00 -0.118192D+01
      3   0.277122D+01 -0.188760D+01  0.438411D+01 -0.259610D+01  0.133728D+00
               151           152           153           154           155 
      1   0.209834D+01 -0.863392D+00  0.556519D+00  0.121244D+01  0.744540D+00
      2   0.723351D+00 -0.115248D+01  0.529034D+00 -0.226866D+01 -0.115341D+01
      3  -0.372847D+01  0.473845D+00 -0.111741D+01 -0.958175D+01 -0.820330D+01
               156           157           158           159           160 
      1  -0.266088D+00  0.100317D+01  0.779061D+00 -0.332564D+00 -0.211740D+00
      2   0.337123D+01 -0.140662D+01 -0.167135D+01  0.252780D+01  0.164128D+01
      3   0.995302D-01 -0.739941D+01 -0.118386D+02  0.961320D+00  0.842312D+00
               161           162           163           164           165 
      1   0.776740D+00  0.290963D+00 -0.511820D+00  0.508551D+00  0.230779D+00
      2   0.934004D+00  0.631265D-01  0.444826D+00 -0.195704D+00 -0.246028D+00
      3   0.219670D+01 -0.810117D+00 -0.397258D+01  0.409550D+01  0.869175D+00
               166           167           168           169           170 
      1   0.430312D+00 -0.268593D+01 -0.322619D+01 -0.257540D+00 -0.130906D+01
      2  -0.331751D+00  0.785144D+00  0.153562D+01 -0.883862D+00  0.120960D+01
      3   0.578025D+01 -0.163028D+02 -0.160664D+01  0.175499D+01 -0.312601D+01
               171           172           173           174           175 
      1  -0.444673D+00 -0.116479D+01 -0.960207D+00 -0.152846D+01  0.799186D+00
      2   0.852949D-01 -0.432115D+01 -0.991870D+00  0.715799D+01  0.434926D+00
      3  -0.104246D+01 -0.871675D+01 -0.126062D+02  0.182040D+01 -0.730633D+01
               176           177           178           179           180 
      1   0.137505D+01 -0.345556D+01  0.208353D+01  0.392703D+01  0.320954D+00
      2  -0.162624D+01 -0.150546D+01  0.207471D+01  0.249580D+00 -0.378804D+01
      3   0.186433D+02  0.125971D+01  0.197265D+01  0.379401D+01 -0.217315D+01
               181           182           183           184           185 
      1  -0.150581D+01  0.580844D+00  0.700812D+00  0.894317D+00 -0.494976D+01
      2  -0.145516D+01  0.597563D+00  0.134467D+01  0.533881D+00 -0.203996D+01
      3   0.271115D+01 -0.555648D+00  0.680126D+00  0.693891D+00  0.200603D+02
               186           187           188           189           190 
      1  -0.430705D+01  0.942454D+00 -0.170997D+01 -0.483341D+00  0.208540D+01
      2  -0.280105D+01  0.492339D+00 -0.307889D+01  0.126922D+00  0.366325D+01
      3   0.189773D+01  0.162949D+01  0.307100D+01  0.248669D+01 -0.291697D+00
               191           192           193           194           195 
      1  -0.619739D-01  0.269277D-01 -0.156212D+00  0.119321D+01  0.574023D+00
      2  -0.128162D+00 -0.234056D+00 -0.706927D+00  0.267248D+01  0.728057D+00
      3  -0.131009D+01 -0.162672D+01 -0.103710D+01  0.138433D+01 -0.226154D+01
               196           197           198           199           200 
      1   0.928964D+00  0.266524D+01  0.124552D+02  0.927255D+00  0.153652D-01
      2  -0.229103D+01 -0.212936D+01  0.209965D+02 -0.182904D+01 -0.213551D-01
      3  -0.238287D+01 -0.320807D+01  0.172534D+01 -0.261590D+00  0.119112D+00
               201           202           203           204           205 
      1   0.976747D+00  0.461067D+00  0.219699D+01 -0.279460D+01 -0.231752D+01
      2  -0.796990D+00 -0.640342D+00 -0.202684D+01  0.255381D+01  0.646675D-01
      3  -0.106981D+01  0.481689D+00 -0.185165D+01  0.137184D+01 -0.245054D+01
               206           207           208           209           210 
      1  -0.388410D+01  0.145002D+02 -0.330310D+00  0.234992D+00 -0.619748D+00
      2   0.538576D+01 -0.127374D+02  0.336332D+00  0.868118D-01  0.429413D+00
      3   0.346462D+01 -0.308009D+01 -0.408401D+01  0.352538D+01  0.362076D+00
               211           212           213           214           215 
      1   0.133586D+00 -0.301464D+01  0.247165D+00 -0.510934D+00  0.848930D+00
      2  -0.431972D+00 -0.606579D+00  0.382872D+01  0.587622D-02  0.137805D+01
      3   0.405966D+01 -0.262927D+02  0.498818D+00  0.908754D+00 -0.131709D+01
               216 
      1   0.229988D-02
      2  -0.802620D+00
      3  -0.950514D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.106696D+01 -0.706413D+01  0.295115D+00 -0.489135D+01  0.729910D+01
      2   0.402757D+01  0.899397D+01 -0.668823D+00  0.612658D+01 -0.164278D+02
      3  -0.296061D+01 -0.192984D+01  0.373708D+00 -0.123523D+01  0.912866D+01
      4  -0.531932D+01 -0.769957D+00 -0.843806D+00 -0.726813D+01  0.726557D+01
      5   0.130835D+01 -0.816038D+00  0.149125D+00 -0.211294D+01  0.166306D+01
      6   0.168627D+00  0.111651D+01  0.731575D+00  0.203920D+01 -0.571479D+01
                 6             7             8             9            10 
      1   0.229956D+01  0.134441D+01  0.378303D+01  0.730263D+01 -0.143053D+02
      2  -0.170481D+01  0.315883D-01 -0.917362D+01  0.418477D+01  0.599888D+01
      3  -0.594753D+00 -0.137599D+01  0.539059D+01 -0.114874D+02  0.830644D+01
      4   0.209174D+01 -0.225467D+01  0.334615D+01 -0.345409D-01  0.804008D+01
      5   0.369637D+00  0.798527D+00  0.987212D+00 -0.106071D+02 -0.634340D+01
      6  -0.534280D+01 -0.290157D+00 -0.229442D+01  0.199576D+02  0.507751D+00
                11            12            13            14            15 
      1   0.418527D+01 -0.191708D+01  0.948623D+01  0.886450D+01  0.130634D+01
      2  -0.130501D+01  0.325022D+01 -0.607118D+01 -0.507616D+01 -0.170328D+01
      3  -0.288026D+01 -0.133315D+01 -0.341504D+01 -0.378833D+01  0.396937D+00
      4  -0.154197D+01  0.101598D+01  0.615187D+01 -0.649153D+01 -0.227455D+01
      5   0.839861D+00 -0.268906D+01  0.276084D+01 -0.109969D+01 -0.267550D+01
      6  -0.146200D+01  0.174067D+01 -0.104065D+01  0.220702D+00  0.937042D+00
                16            17            18            19            20 
      1  -0.956252D+01  0.136244D+01  0.554118D+01 -0.422779D+01  0.116605D+01
      2   0.312094D+01 -0.131184D+01  0.669875D+01 -0.956736D+00 -0.591719D+01
      3   0.644158D+01 -0.505947D-01 -0.122399D+02  0.518453D+01  0.475114D+01
      4   0.442184D+01 -0.360045D+01 -0.213873D+01 -0.363871D+01 -0.849515D+01
      5  -0.187637D+01 -0.187463D+01  0.290282D+02  0.277775D+01  0.117258D+01
      6   0.261837D+00 -0.824477D-01  0.528026D+00  0.321604D+00  0.115416D+01
                21            22            23            24            25 
      1  -0.284519D+00 -0.614704D+01 -0.401972D+01 -0.172101D+01  0.260479D+01
      2  -0.182589D+01  0.929528D+00  0.280862D+01  0.348018D+00  0.308539D+00
      3   0.211041D+01  0.521751D+01  0.121110D+01  0.137299D+01 -0.291333D+01
      4   0.791157D+00 -0.922241D+01 -0.513776D+00  0.385619D+00  0.346135D+01
      5  -0.269806D+01  0.150825D+01  0.742010D+00 -0.548818D+00  0.369354D-01
      6  -0.110466D+01  0.237007D+00  0.252856D+01 -0.546156D+00  0.267831D-01
                26            27            28            29            30 
      1  -0.258683D+00  0.564825D+01 -0.126808D+02  0.886246D+01 -0.412879D+01
      2   0.197852D+01  0.831662D+01  0.547937D+01 -0.651507D+01  0.102880D+01
      3  -0.171984D+01 -0.139649D+02  0.720140D+01 -0.234739D+01  0.309999D+01
      4   0.351347D+01  0.133134D+01  0.204619D+01 -0.714393D+01  0.268035D+01
      5   0.619584D+00 -0.102826D+02 -0.451892D+01  0.133230D+01 -0.690608D+01
      6   0.195606D+01 -0.121052D+02  0.363534D+01 -0.736945D+00  0.584033D+00
                31            32            33            34            35 
      1   0.577848D+01  0.316854D+01 -0.234695D+01 -0.280271D+01  0.677086D+00
      2  -0.369101D+01 -0.285749D+01 -0.931750D-01 -0.601976D+00  0.106416D+01
      3  -0.208747D+01 -0.311048D+00  0.244012D+01  0.340469D+01 -0.174125D+01
      4  -0.599068D+01 -0.127320D+02 -0.188134D+01  0.254458D+01 -0.197643D+01
      5   0.572749D+00 -0.121921D+01 -0.373590D+01 -0.288308D+01  0.409099D+00
      6  -0.766264D+00  0.151798D+01 -0.131787D+01  0.113306D+01 -0.623053D+00
                36            37            38            39            40 
      1   0.529791D+01  0.151623D+01 -0.231654D+01 -0.885797D+00  0.813996D+00
      2   0.573389D+01  0.590402D+00  0.190813D+01 -0.330359D+00  0.143152D+00
      3  -0.110318D+02 -0.210663D+01  0.408414D+00  0.121616D+01 -0.957148D+00
      4   0.708642D+00 -0.468502D+01  0.142502D+02 -0.179126D+01  0.124309D+02
      5   0.224318D+02  0.133953D+01 -0.106933D+00  0.155929D+02 -0.117157D+01
      6  -0.934519D+01 -0.201900D+01  0.162260D+01  0.174753D+01 -0.308829D+00
                41            42            43            44            45 
      1  -0.139969D+02  0.365554D+01  0.905357D+00  0.258968D+01 -0.651152D+01
      2   0.191234D+02 -0.145403D+01 -0.183528D+01 -0.342335D+01 -0.274227D+00
      3  -0.512654D+01 -0.220151D+01  0.929927D+00  0.833670D+00  0.678574D+01
      4   0.215202D+01 -0.277158D+00 -0.701342D+01 -0.450691D+00 -0.131647D+01
      5  -0.508561D+00  0.160321D+01  0.412710D+01 -0.357960D+00  0.147582D+01
      6  -0.371227D+01  0.511391D+01 -0.940884D+00  0.682564D+01  0.206400D+00
                46            47            48            49            50 
      1  -0.859368D+01  0.393699D+01  0.376748D+01 -0.664745D+01 -0.438888D+01
      2   0.456390D+01 -0.804015D+01 -0.136162D+01 -0.650921D+00 -0.230898D+01
      3   0.402978D+01  0.410317D+01 -0.240587D+01  0.729837D+01  0.669786D+01
      4   0.321431D+01 -0.175631D+02 -0.682249D+00 -0.170458D+02 -0.161144D+01
      5   0.100821D+01 -0.473844D+00 -0.849253D+01  0.139962D+01  0.118583D+01
      6  -0.773224D-02 -0.195688D+01 -0.218206D+01  0.618169D+00  0.198017D+01
                51            52            53            54            55 
      1  -0.134128D+01  0.380906D+01 -0.646569D+00  0.818992D+01 -0.373234D+01
      2  -0.186772D+00  0.854605D+00  0.571218D+01  0.777145D+01 -0.258107D+01
      3   0.152805D+01 -0.466367D+01 -0.506561D+01 -0.159614D+02  0.631341D+01
      4   0.197130D+01  0.319293D+01  0.257379D+01  0.131746D+01  0.196752D+02
      5   0.308755D+01 -0.224707D+01 -0.180396D+00 -0.237740D+02 -0.233261D+01
      6  -0.128794D+01 -0.105189D+00 -0.836899D+00 -0.207200D+02  0.651685D+01
                56            57            58            59            60 
      1   0.410366D+00 -0.240078D+01  0.309766D+01 -0.297103D+02 -0.577643D+01
      2   0.450387D+01  0.719196D+00 -0.212311D+01  0.462183D+02  0.521165D+01
      3  -0.491424D+01  0.168158D+01 -0.974554D+00 -0.165081D+02  0.564779D+00
      4  -0.375204D+01  0.537848D+01  0.364105D+01 -0.135361D+02 -0.378185D+01
      5   0.106793D+01  0.361133D+01  0.138235D+01 -0.289695D+01 -0.133082D+01
      6  -0.170142D+01  0.171857D+01 -0.242006D+01  0.106535D+02  0.106213D+02
                61            62            63            64            65 
      1  -0.194263D+01 -0.849197D+01 -0.864854D+01 -0.130344D+00  0.648674D+00
      2  -0.185883D+01  0.143037D+02  0.453215D+01 -0.314265D+01 -0.763648D+00
      3   0.380146D+01 -0.581173D+01  0.411640D+01  0.327300D+01  0.114974D+00
      4   0.102604D+02 -0.945772D+01 -0.213686D+01  0.949814D+00  0.203027D+01
      5   0.378896D+01 -0.362504D+01 -0.242142D+01  0.136296D+01 -0.972222D+00
      6  -0.332055D+00  0.142624D+02  0.637936D+01 -0.328356D+01 -0.396786D+00
                66            67            68            69            70 
      1   0.162643D+01  0.753184D+00 -0.421310D+01  0.293974D+01  0.180943D+01
      2  -0.674248D+00 -0.911684D+00  0.259874D+01 -0.351330D+01 -0.602839D+00
      3  -0.952186D+00  0.158501D+00  0.161436D+01  0.573565D+00 -0.120659D+01
      4  -0.264482D+01  0.189852D+01 -0.141013D+01  0.150415D+01 -0.331005D+01
      5   0.569277D+01 -0.190080D+00  0.133306D+01 -0.102233D+00  0.374218D+01
      6   0.765066D+00  0.360166D-02 -0.406691D+01  0.610536D+01 -0.317239D+00
                71            72            73            74            75 
      1   0.476479D+01 -0.150401D+02  0.256899D+02 -0.194710D+02  0.501199D+01
      2  -0.437685D+01 -0.113977D+02 -0.139846D+02  0.992229D+01 -0.552217D+01
      3  -0.387934D+00  0.264379D+02 -0.117053D+02  0.954870D+01  0.510180D+00
      4   0.281100D+01 -0.575166D+00 -0.247207D+02  0.512500D+01 -0.780934D+00
      5  -0.120784D+01  0.101204D+02  0.932469D+01 -0.397142D+00  0.780870D+01
      6   0.624576D+01 -0.219186D+02 -0.234734D+01  0.737083D+00 -0.226335D+01
                76            77            78            79            80 
      1  -0.366267D+02 -0.603939D+01 -0.532864D+00  0.164179D+02  0.360286D+00
      2   0.203950D+02  0.767923D+01  0.994450D+00 -0.102948D+02 -0.189288D+00
      3   0.162318D+02 -0.163984D+01 -0.461586D+00 -0.612309D+01 -0.170998D+00
      4   0.566584D+01 -0.190628D+02  0.485777D+01 -0.279357D+01  0.671105D+01
      5  -0.286148D+01  0.522258D+01 -0.510601D+01  0.144785D+02 -0.420429D+01
      6   0.376039D+00 -0.185828D+01  0.504977D+01 -0.248373D+01  0.446867D+01
                81            82            83            84            85 
      1   0.412168D+01  0.256329D+01 -0.915224D+00 -0.461847D+01 -0.794030D+00
      2  -0.736918D+01 -0.430186D+01  0.405214D+00  0.311374D+01  0.377798D+00
      3   0.324750D+01  0.173857D+01  0.510009D+00  0.150473D+01  0.416232D+00
      4  -0.450102D+01 -0.100202D+01  0.902011D+00  0.242886D+00  0.116408D+01
      5   0.568141D+01 -0.513118D+01 -0.259626D+00  0.609195D+01 -0.439144D+00
      6  -0.111499D+01  0.220253D+00 -0.976343D-01  0.180152D+00 -0.103035D+01
                86            87            88            89            90 
      1  -0.367060D+01  0.279250D+00 -0.648510D+01  0.659464D-01 -0.125200D+02
      2   0.269338D+00  0.779350D+00  0.569450D+01  0.604692D+00 -0.147623D+02
      3   0.340127D+01 -0.105860D+01  0.790604D+00 -0.670639D+00  0.272823D+02
      4   0.160681D+01 -0.421294D+01  0.118464D+00 -0.466677D+01  0.996799D+00
      5  -0.447037D+01  0.184397D+01  0.726098D+01  0.132253D+01 -0.295392D+02
      6  -0.105639D-01  0.659995D+01 -0.146627D+00  0.413618D+01  0.132506D+01
                91            92            93            94            95 
      1  -0.301617D+00 -0.348030D+00  0.193493D+01 -0.428655D+00 -0.198066D+01
      2  -0.256420D+01  0.627426D+00 -0.640029D+00  0.540330D+00 -0.112184D+01
      3   0.286582D+01 -0.279395D+00 -0.129491D+01 -0.111675D+00  0.310250D+01
      4  -0.165843D+00  0.220452D+01  0.159674D+01  0.269670D+01 -0.104586D+00
      5   0.187307D+01  0.191552D+00  0.512000D+01 -0.109293D+00  0.146661D+01
      6   0.185785D+01 -0.875662D-01 -0.596663D+00  0.252023D+00  0.166479D+01
                96            97            98            99           100 
      1  -0.805299D+00  0.193723D+01 -0.197369D+01 -0.153830D+02  0.221179D+02
      2   0.226309D+01 -0.152914D+01  0.271825D+01 -0.141557D+02 -0.817871D+01
      3  -0.145779D+01 -0.408093D+00 -0.744559D+00  0.295387D+02 -0.139392D+02
      4   0.169367D+01  0.248188D+01  0.254719D+01  0.339097D+00  0.200641D+02
      5  -0.700977D+00  0.453809D+01  0.366948D+00  0.109740D+02 -0.390528D+01
      6   0.549910D+01  0.567725D+00  0.428127D+01  0.129764D+02 -0.283056D+01
               101           102           103           104           105 
      1  -0.440893D+01 -0.215246D+01 -0.747970D+00  0.143413D+02  0.391020D+01
      2   0.126406D+02  0.306894D+01  0.605142D+01 -0.141177D+02 -0.381745D+01
      3  -0.823169D+01 -0.916481D+00 -0.530345D+01 -0.223610D+00 -0.927463D-01
      4   0.213581D+02 -0.202587D+01  0.170425D+02  0.819175D+00 -0.277037D+01
      5  -0.389528D+00  0.835731D+01 -0.592648D+00 -0.406985D+01  0.133877D+01
      6   0.157624D+00  0.304758D+01 -0.176706D-01 -0.565478D+01  0.492534D+01
               106           107           108           109           110 
      1  -0.486909D+01  0.504997D+01 -0.234576D+00 -0.473484D+01 -0.110727D+02
      2   0.179521D+01 -0.860739D+01 -0.294441D+01  0.489698D+01  0.512205D+01
      3   0.307389D+01  0.355742D+01  0.317899D+01 -0.162134D+00  0.595063D+01
      4  -0.586040D+01 -0.729200D+01  0.451556D+01 -0.139090D+02  0.158443D+01
      5   0.845395D+01  0.284558D+01 -0.228208D+01  0.118724D+02 -0.191742D+01
      6   0.511164D+01  0.573478D+01 -0.315038D+01 -0.651045D+01  0.335763D+01
               111           112           113           114           115 
      1   0.449869D+01 -0.212679D+02  0.107071D+02  0.187674D+01  0.171290D+02
      2  -0.507383D+01  0.164719D+02 -0.273475D+02 -0.577370D+01 -0.701847D+01
      3   0.575138D+00  0.479601D+01  0.166404D+02  0.389696D+01 -0.101106D+02
      4  -0.465231D+01 -0.617059D+01  0.316850D+02  0.587440D+01 -0.245720D+01
      5  -0.678002D+00  0.908621D+00  0.585564D+01 -0.307976D+01 -0.260722D+01
      6  -0.326104D+01  0.809824D+00 -0.340273D+01 -0.183663D+00  0.605717D+00
               116           117           118           119           120 
      1   0.129574D+01  0.123865D+02  0.241610D+01 -0.158967D+01 -0.228268D+01
      2  -0.455481D+01  0.735574D+01 -0.384983D+01  0.875669D+00  0.170616D+01
      3   0.325907D+01 -0.197423D+02  0.143373D+01  0.714001D+00  0.576523D+00
      4   0.748136D+01  0.334206D+01 -0.216400D+01  0.229933D+01  0.117595D+01
      5   0.302044D+01 -0.360038D+02 -0.308680D+01 -0.107216D-01  0.701228D+01
      6  -0.163428D+01  0.158062D+02  0.124345D+01  0.167880D-01 -0.670638D+00
               121           122           123           124           125 
      1  -0.119343D+01 -0.364211D+01 -0.916757D+00 -0.412682D+01 -0.127266D+01
      2   0.383673D+00  0.786757D+00  0.145702D+01  0.525081D+01  0.766382D+00
      3   0.809757D+00  0.285535D+01 -0.540259D+00 -0.112398D+01  0.506281D+00
      4   0.241422D+01  0.537044D+00 -0.197006D+01  0.270141D+01 -0.239643D+01
      5  -0.963013D-01 -0.288443D+01  0.414933D+00  0.639715D+01 -0.114480D+01
      6  -0.476418D+00  0.172823D+01  0.618993D+01 -0.116958D+01  0.469419D+01
               126           127           128           129           130 
      1  -0.148870D+02  0.178481D+02  0.252375D+01  0.474483D+00  0.519503D+01
      2  -0.126146D+02 -0.105864D+01  0.842360D+01  0.572445D+00  0.618575D+01
      3   0.275017D+02 -0.167894D+02 -0.109473D+02 -0.104693D+01 -0.113808D+02
      4  -0.107804D+01  0.241025D+02  0.267770D+02 -0.554372D+00  0.260435D+02
      5  -0.192965D+02 -0.196129D+01 -0.825770D+00  0.823840D+01  0.112822D+00
      6   0.987781D+01 -0.380824D+00 -0.112886D+01  0.433980D+01  0.542742D+00
               131           132           133           134           135 
      1  -0.600692D+01 -0.896208D+00 -0.667848D+00 -0.375036D+01  0.548354D+01
      2   0.259122D+02  0.171713D+01  0.128077D+01  0.347599D+01 -0.272343D+01
      3  -0.199052D+02 -0.820922D+00 -0.612923D+00  0.274373D+00 -0.276011D+01
      4   0.285952D+02  0.129471D+01  0.322348D+01  0.534966D+01 -0.698316D+00
      5   0.108205D+01 -0.226900D+00  0.536288D+01 -0.197667D+01  0.181751D+02
      6   0.103516D+01  0.391390D+01  0.167192D+01  0.178505D+00  0.221247D+02
               136           137           138           139           140 
      1  -0.125868D+00  0.520050D+00  0.331662D+01 -0.331683D+00 -0.291413D+01
      2  -0.263706D+01  0.418058D-01 -0.157163D+01  0.103646D+01  0.890072D+00
      3   0.276293D+01 -0.561856D+00 -0.174499D+01 -0.704776D+00  0.202406D+01
      4   0.926024D+00  0.372365D+01  0.298095D+01  0.369591D+01  0.144620D+01
      5   0.381720D+01  0.713061D+00  0.665270D+01 -0.639821D-01  0.267406D+01
      6   0.342007D+01 -0.943416D-01  0.549551D+00  0.244746D+00  0.370843D+01
               141           142           143           144           145 
      1  -0.207354D+01  0.261666D+01 -0.393441D+01 -0.159685D+02  0.101429D+02
      2   0.315980D+01 -0.305014D+01  0.238590D+01 -0.125488D+02  0.507416D+01
      3  -0.108626D+01  0.433472D+00  0.154852D+01  0.285174D+02 -0.152171D+02
      4   0.232766D+01  0.510009D+01  0.499795D+01  0.264119D+01 -0.301693D+02
      5  -0.216823D+00  0.700772D+01  0.312052D+01  0.213404D+02  0.127038D+00
      6   0.637865D+01  0.254325D+01  0.732641D+01  0.216761D+02 -0.311177D+01
               146           147           148           149           150 
      1   0.174284D+00  0.170557D+01 -0.687926D+00 -0.188331D+01  0.260618D+00
      2  -0.119221D+02  0.299826D+00 -0.612374D+01  0.101200D+02 -0.140757D+01
      3   0.117478D+02 -0.200540D+01  0.681167D+01 -0.823669D+01  0.114695D+01
      4   0.214558D+02 -0.279549D+01  0.140023D+02 -0.118139D+02  0.142264D+01
      5   0.322004D+00  0.290574D+01  0.213303D+00  0.460209D+00 -0.169452D+01
      6   0.675020D+00 -0.500697D+01  0.920814D+00 -0.116899D+01  0.278526D+01
               151           152           153           154           155 
      1   0.165465D+01  0.103728D+01 -0.149967D+00  0.407867D+02  0.140144D+02
      2   0.125816D+01 -0.362561D+01  0.652441D+00 -0.221709D+02 -0.806704D+01
      3  -0.291281D+01  0.258832D+01 -0.502474D+00 -0.186158D+02 -0.594732D+01
      4  -0.653606D+01  0.460852D+01 -0.437449D+01  0.110667D+02  0.109707D+02
      5   0.358646D+01 -0.219462D+01  0.920860D+00  0.488251D+00  0.540335D-01
      6  -0.413761D+01  0.417133D+01 -0.912185D+00  0.101598D+01  0.951738D+00
               156           157           158           159           160 
      1  -0.865009D+00  0.277145D+02  0.116256D+02  0.285376D+00 -0.538549D+01
      2  -0.240681D-01 -0.155969D+02 -0.515691D+01 -0.517570D+00  0.304539D+01
      3   0.889077D+00 -0.121176D+02 -0.646872D+01  0.232194D+00  0.234010D+01
      4  -0.216700D+00  0.122872D+02  0.131904D+02 -0.110121D+01 -0.116357D+01
      5   0.567833D+01  0.111867D+01 -0.120094D+01  0.389030D+01  0.663278D+01
      6  -0.288147D-01  0.117198D+01  0.888945D+00  0.206740D+00  0.546635D+00
               161           162           163           164           165 
      1  -0.142647D+01  0.378892D+01 -0.145813D+01  0.545287D+01  0.769091D+00
      2   0.682893D+00 -0.337526D+01  0.259952D+01 -0.666717D+01 -0.755661D+00
      3   0.743574D+00 -0.413660D+00 -0.114139D+01  0.121431D+01 -0.134300D-01
      4  -0.215697D+01  0.175886D+01 -0.577704D+00  0.149063D+00  0.428514D+00
      5   0.211408D+01  0.277749D+00  0.470526D+00 -0.305886D+00 -0.199030D+00
      6   0.114164D+01 -0.394729D+00  0.102471D+01 -0.475180D+00 -0.755919D-01
               166           167           168           169           170 
      1   0.430228D+01 -0.233954D+02 -0.171881D+01  0.109610D+01 -0.409734D+01
      2  -0.101087D+01  0.389502D+02  0.288262D+01 -0.700316D+00  0.583685D+01
      3  -0.329142D+01 -0.155548D+02 -0.116382D+01 -0.395786D+00 -0.173950D+01
      4   0.621440D+01  0.208828D+02  0.135551D+01  0.116217D+01  0.343407D+01
      5  -0.191397D+00  0.228558D+01  0.292284D+01  0.108676D+01  0.234089D+01
      6  -0.175821D+00  0.308760D+01  0.476633D+01  0.578820D+00  0.595513D+01
               171           172           173           174           175 
      1  -0.336984D+01  0.701030D+02  0.321189D+01 -0.725889D+01  0.149380D+01
      2   0.318178D+01 -0.404559D+02 -0.991756D+00  0.721836D+01 -0.237623D+01
      3   0.188055D+00 -0.296471D+02 -0.222013D+01  0.405226D-01  0.882427D+00
      4   0.217321D+01 -0.327450D+01  0.133376D+02  0.203049D+01  0.193839D+02
      5   0.183464D+00 -0.125587D+02  0.563513D+00  0.128000D+02  0.351189D+00
      6   0.120940D+01  0.320270D+01 -0.150487D+01  0.105600D+01 -0.115979D+01
               176           177           178           179           180 
      1   0.109350D+02  0.182049D+01 -0.182616D+02 -0.603377D+00  0.855448D+01
      2  -0.131959D+01  0.101971D+01  0.113025D+02 -0.187538D+00 -0.116452D+02
      3  -0.961539D+01 -0.284021D+01  0.695912D+01  0.790915D+00  0.309069D+01
      4  -0.256821D+02 -0.417419D+01  0.923123D+00 -0.498006D+01 -0.106349D+01
      5  -0.454052D+01 -0.307886D+01  0.199295D+02  0.945484D+00 -0.762471D+01
      6   0.150948D+01  0.656559D+01 -0.248760D+01  0.360129D+01  0.487049D-02
               181           182           183           184           185 
      1   0.239398D+01 -0.652986D+01 -0.288864D+01 -0.553346D+01 -0.176739D+02
      2   0.359895D+01  0.135427D+01  0.967970D+00 -0.401590D+01  0.421445D+02
      3  -0.599292D+01  0.517559D+01  0.192067D+01  0.954936D+01 -0.244706D+02
      4  -0.881148D+01  0.105015D+02  0.169032D+01  0.180364D+02 -0.468550D+02
      5  -0.270698D+01  0.498920D+00  0.232335D+01  0.392435D+00 -0.322746D+01
      6   0.169307D+01 -0.435112D+00 -0.841553D+00  0.128238D+00  0.172129D+01
               186           187           188           189           190 
      1  -0.148073D+01 -0.477677D+01 -0.242640D+01 -0.338889D+01  0.912850D+00
      2   0.377519D+01  0.114610D+01  0.597149D+01  0.325347D+01 -0.418116D+01
      3  -0.229447D+01  0.363068D+01 -0.354509D+01  0.135420D+00  0.326831D+01
      4  -0.359958D+01  0.432290D+01 -0.773077D+01 -0.662855D+01  0.751889D+00
      5  -0.557238D+01  0.357898D+01 -0.669958D+01  0.554862D+00  0.711553D+01
      6   0.627362D+01 -0.206663D+01  0.761305D+01  0.172030D+01 -0.224610D+01
               191           192           193           194           195 
      1   0.128033D+01  0.783941D+01  0.485246D+01 -0.400616D+01  0.123641D+01
      2  -0.109258D+01 -0.419315D+01 -0.367389D+01  0.293437D+01 -0.275913D+01
      3  -0.187754D+00 -0.364626D+01 -0.117857D+01  0.107179D+01  0.152273D+01
      4   0.136241D+01 -0.222462D+01  0.147321D+01 -0.418384D+01  0.471026D+01
      5  -0.546754D+00  0.579231D+01  0.176990D+00  0.509838D+01  0.170500D+01
      6  -0.492184D+00  0.366129D+00  0.622802D+00 -0.189510D+01  0.450757D+01
               196           197           198           199           200 
      1   0.902668D+01  0.302955D+01 -0.170776D+02  0.140673D+01  0.237910D+01
      2  -0.718773D+01 -0.186978D+01 -0.138645D+02 -0.119736D+01 -0.148792D+01
      3  -0.183894D+01 -0.115977D+01  0.309421D+02 -0.209365D+00 -0.891182D+00
      4  -0.415527D+01  0.618809D+01 -0.540670D+01  0.208167D+01  0.141878D+01
      5   0.102420D+02 -0.531914D+01  0.439914D+02 -0.178408D+01 -0.612097D+00
      6  -0.260200D+01  0.726346D+01 -0.193244D+02 -0.205333D+01  0.859193D+00
               201           202           203           204           205 
      1  -0.318888D+01  0.648309D+00 -0.472823D+01  0.246074D+01 -0.366532D+01
      2   0.147607D+01  0.615763D+00  0.678388D+01 -0.416893D+01  0.100617D+01
      3   0.171281D+01 -0.126407D+01 -0.205564D+01  0.170819D+01  0.265915D+01
      4  -0.195889D+01  0.242385D+01  0.452358D+01 -0.325053D+01 -0.796711D+01
      5   0.430109D+00 -0.888932D+00 -0.300553D+01  0.399956D+01  0.542203D+01
      6  -0.194014D+01 -0.118209D+01 -0.521023D+01  0.676399D+01  0.446937D+01
               206           207           208           209           210 
      1   0.641431D+01 -0.977097D+01  0.636262D+00  0.607717D+01  0.132267D+01
      2  -0.763017D+01  0.220619D+01  0.842764D+00 -0.261308D+01 -0.625506D+00
      3   0.121587D+01  0.756478D+01 -0.147903D+01 -0.346410D+01 -0.697164D+00
      4  -0.101079D+02  0.886327D+01  0.636473D+01 -0.753091D+00 -0.333232D+00
      5   0.906154D+01 -0.217346D+02  0.121162D+01 -0.614521D+00  0.899561D+00
      6   0.131928D+02 -0.264648D+02 -0.375575D-01 -0.785775D-01  0.114482D+01
               211           212           213           214           215 
      1   0.205979D+02 -0.958951D+00 -0.172597D+01  0.234941D+01 -0.553004D+00
      2  -0.118843D+02  0.108923D+01  0.150135D+01 -0.126101D+01  0.444416D+00
      3  -0.871360D+01 -0.130281D+00  0.224620D+00 -0.108840D+01  0.108588D+00
      4  -0.586562D+00  0.321390D+02 -0.427774D+00 -0.403299D+00  0.125394D+01
      5  -0.218008D+01  0.544527D-01  0.689373D+01  0.352440D+01  0.247671D+01
      6   0.378639D+00 -0.104297D+01 -0.103080D+01  0.408191D+00  0.185380D+01
               216 
      1   0.972867D+00
      2  -0.187458D+01
      3   0.901715D+00
      4   0.196490D+01
      5  -0.182130D+01
      6   0.165498D+00
 Leave Link  716 at Thu Aug 12 22:36:32 2021, MaxMem=  5368709120 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.110382D+03  0.845653D+00 -0.232124D+00
      2   0.845653D+00  0.994313D+02 -0.149274D+01
      3  -0.232124D+00 -0.149274D+01  0.834941D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.138840D+01 -0.414226D+01  0.601692D+01
      2  -0.339876D+01 -0.443555D-01  0.498425D+01
      3  -0.549604D+01 -0.104899D+02  0.117446D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.286068D+02 -0.119411D+02 -0.159738D+02
      2  -0.229837D+02  0.126553D+02  0.107080D+02
      3  -0.562304D+01 -0.714246D+00  0.526573D+01
      4  -0.194208D+02 -0.648595D+01 -0.109163D+01
      5  -0.794071D+01 -0.245552D+01  0.859932D+01
      6  -0.435034D+00  0.124130D+02 -0.110531D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.281592D+01  0.222799D+01 -0.848535D+00  0.164692D+01  0.204653D+01
      2   0.222799D+01  0.190018D+01  0.132392D+00  0.204653D+01 -0.275926D+01
      3  -0.848535D+00  0.132392D+00 -0.457369D+00  0.242928D+00 -0.116895D+01
                 6             7             8             9            10 
      1   0.242928D+00 -0.110741D+01  0.419273D+00 -0.388935D+00  0.235871D+01
      2  -0.116895D+01  0.419273D+00 -0.190462D+01 -0.585298D+00 -0.157125D+01
      3   0.550511D+00 -0.388935D+00 -0.585298D+00  0.773916D+01  0.107690D+01
                11            12            13            14            15 
      1  -0.157125D+01  0.107690D+01 -0.234260D+01 -0.234452D+01 -0.508963D+00
      2  -0.171221D+01 -0.242755D+00 -0.234452D+01  0.194561D+01  0.834889D+00
      3  -0.242755D+00 -0.815466D+00 -0.508963D+00  0.834889D+00  0.980740D+00
                16            17            18            19            20 
      1   0.175706D+01 -0.561000D+00  0.300969D+00  0.170405D+01 -0.209492D+01
      2  -0.561000D+00  0.103321D+01  0.427199D+00 -0.209492D+01 -0.182555D+01
      3   0.300969D+00  0.427199D+00 -0.811348D+01  0.971530D+00  0.605345D-01
                21            22            23            24            25 
      1   0.971530D+00 -0.312877D+01 -0.239714D+01  0.356082D-01  0.164367D+01
      2   0.605345D-01 -0.239714D+01  0.261833D+01  0.918692D+00  0.152583D+00
      3   0.736630D+00  0.356082D-01  0.918692D+00  0.104804D+01  0.123300D+00
                26            27            28            29            30 
      1   0.152583D+00  0.123300D+00 -0.125723D+01  0.302588D+01 -0.115037D+01
      2   0.156653D+01  0.497077D+00  0.302588D+01  0.121809D+01  0.996614D-01
      3   0.497077D+00 -0.746220D+01 -0.115037D+01  0.996614D-01 -0.868015D+00
                31            32            33            34            35 
      1   0.337372D+01  0.234070D+01  0.200757D+00 -0.146502D+01  0.302184D+00
      2   0.234070D+01 -0.353298D+01 -0.974826D+00  0.302184D+00 -0.144416D+01
      3   0.200757D+00 -0.974826D+00 -0.672714D+00 -0.553780D+00  0.159095D-01
                36            37            38            39            40 
      1  -0.553780D+00  0.260234D+01 -0.253433D+01  0.654991D+00 -0.399937D+01
      2   0.159095D-01 -0.253433D+01 -0.191400D+00 -0.440288D+00 -0.884916D+00
      3   0.780271D+01  0.654991D+00 -0.440288D+00  0.937519D-01 -0.121916D+00
                41            42            43            44            45 
      1  -0.884916D+00 -0.121916D+00  0.289365D+01  0.262115D+00  0.205116D+00
      2  -0.318918D+01  0.101740D+01  0.262115D+00  0.126012D+01 -0.835215D+00
      3   0.101740D+01  0.443263D+00  0.205116D+00 -0.835215D+00 -0.916243D+00
                46            47            48            49            50 
      1  -0.358597D+01  0.344311D+00 -0.306059D+00  0.279540D+01  0.214316D+01
      2   0.344311D+00  0.194322D+01  0.701283D+00  0.214316D+01 -0.206892D+01
      3  -0.306059D+00  0.701283D+00 -0.233297D+00  0.134225D+00 -0.708110D+00
                51            52            53            54            55 
      1   0.134225D+00 -0.154188D+01  0.200908D+00  0.165228D+00  0.401546D+01
      2  -0.708110D+00  0.200908D+00 -0.118940D+01  0.279495D-02 -0.755818D+00
      3  -0.162268D+01  0.165228D+00  0.279495D-02  0.780231D+01  0.131316D+01
                56            57            58            59            60 
      1  -0.755818D+00  0.131316D+01 -0.261565D+00 -0.254452D+00 -0.254571D+00
      2   0.164788D+01 -0.141761D+00 -0.254452D+00  0.759700D+01  0.137373D+01
      3  -0.141761D+00  0.749215D+00 -0.254571D+00  0.137373D+01 -0.145156D+00
                61            62            63            64            65 
      1   0.199177D+01 -0.975893D+00  0.324405D-01  0.477290D+00 -0.282057D+00
      2  -0.975893D+00  0.311089D+01  0.166084D+01 -0.282057D+00 -0.330986D+00
      3   0.324405D-01  0.166084D+01  0.418329D+00 -0.991828D+00 -0.331259D-02
                66            67            68            69            70 
      1  -0.991828D+00 -0.183065D+00 -0.362118D+00  0.292002D-01 -0.160078D+01
      2  -0.331259D-02 -0.362118D+00  0.829131D+00 -0.115001D+01  0.114977D+00
      3   0.133981D+00  0.292002D-01 -0.115001D+01  0.327296D+00 -0.416998D-01
                71            72            73            74            75 
      1   0.114977D+00 -0.416998D-01 -0.412434D+01  0.312160D+01 -0.114296D+01
      2  -0.183873D+01  0.889342D+00  0.312160D+01  0.772984D+00 -0.583821D-01
      3   0.889342D+00 -0.748812D+01 -0.114296D+01 -0.583821D-01  0.682941D+00
                76            77            78            79            80 
      1   0.596018D+01 -0.329276D+00  0.341325D+00 -0.291759D+01  0.157576D+00
      2  -0.329276D+00  0.329165D+01 -0.952680D+00  0.157576D+00 -0.109070D+01
      3   0.341325D+00 -0.952680D+00  0.535001D+00 -0.146069D+01  0.554399D+00
                81            82            83            84            85 
      1  -0.146069D+01 -0.735741D+00  0.310605D+00  0.116691D+01  0.287481D+00
      2   0.554399D+00  0.310605D+00  0.249503D+00  0.362732D-01  0.247872D+00
      3  -0.321422D+00  0.116691D+01  0.362732D-01 -0.272276D+00  0.576768D-01
                86            87            88            89            90 
      1   0.247872D+00  0.576768D-01  0.198630D+01  0.105392D+00 -0.848797D+00
      2  -0.476375D+00  0.108500D+01  0.105392D+00  0.148585D+01 -0.256459D+00
      3   0.108500D+01 -0.457767D+00 -0.848797D+00 -0.256459D+00  0.773973D+01
                91            92            93            94            95 
      1  -0.213083D+00  0.228663D+00  0.107511D+01  0.270305D+00  0.466358D+00
      2   0.228663D+00  0.408088D+00  0.698525D-01  0.466358D+00 -0.429459D+00
      3   0.107511D+01  0.698525D-01 -0.873783D-01  0.776654D-01  0.979872D+00
                96            97            98            99           100 
      1   0.776654D-01  0.176582D+01  0.490347D-01  0.332184D+00  0.586108D+01
      2   0.979872D+00  0.490347D-01  0.157922D+01  0.218795D+00  0.201280D+01
      3  -0.235979D+00  0.332184D+00  0.218795D+00  0.738364D+01 -0.881482D+00
               101           102           103           104           105 
      1   0.201280D+01 -0.881482D+00  0.970153D+00  0.301417D+01  0.117851D+00
      2   0.353534D+01  0.140138D+00  0.301417D+01 -0.248537D+01 -0.101288D+01
      3   0.140138D+00 -0.598512D-01  0.117851D+00 -0.101288D+01 -0.723936D+00
               106           107           108           109           110 
      1  -0.178945D+01 -0.444751D+00  0.114015D+01  0.200554D+01 -0.291727D+01
      2  -0.444751D+00 -0.214494D+01  0.601977D+00 -0.291727D+01  0.459192D+00
      3   0.114015D+01  0.601977D+00 -0.200374D+00  0.183420D+01 -0.342984D+00
               111           112           113           114           115 
      1   0.183420D+01 -0.247843D+01 -0.163428D+01 -0.552167D-01  0.273722D+01
      2  -0.342984D+00 -0.163428D+01  0.665585D+01  0.135606D+01 -0.830773D-01
      3   0.100812D+01 -0.552167D-01  0.135606D+01 -0.136356D+00 -0.235987D+00
               116           117           118           119           120 
      1  -0.830773D-01 -0.235987D+00  0.909174D+00 -0.583212D+00 -0.111146D+01
      2   0.136862D+01  0.577903D+00 -0.583212D+00 -0.242731D-01 -0.239703D-01
      3   0.577903D+00 -0.759118D+01 -0.111146D+01 -0.239703D-01  0.604979D+00
               121           122           123           124           125 
      1  -0.597546D+00 -0.493810D-01 -0.858682D-01 -0.222636D+01 -0.108393D+00
      2  -0.493810D-01  0.247232D+00 -0.101487D+01 -0.108393D+00 -0.132645D+01
      3  -0.858682D-01 -0.101487D+01 -0.458716D-01  0.874187D+00 -0.474986D+00
               126           127           128           129           130 
      1   0.874187D+00 -0.415977D+01 -0.255412D+01  0.141327D+00 -0.265078D+01
      2  -0.474986D+00 -0.255412D+01 -0.270002D+01  0.137031D-01 -0.280507D+01
      3  -0.743927D+01  0.141327D+00  0.137031D-01 -0.155433D+00 -0.308286D+00
               131           132           133           134           135 
      1  -0.280507D+01 -0.308286D+00 -0.506997D+00 -0.730966D+00 -0.223005D+00
      2  -0.506252D+01 -0.368287D+00 -0.730966D+00 -0.160858D+01  0.728482D+00
      3  -0.368287D+00  0.981767D+00 -0.223005D+00  0.728482D+00 -0.490639D+01
               136           137           138           139           140 
      1   0.856527D-01 -0.351784D+00 -0.120596D+01 -0.377121D+00 -0.546187D+00
      2  -0.351784D+00 -0.416605D+00 -0.763812D-01 -0.546187D+00 -0.352260D+00
      3  -0.120596D+01 -0.763812D-01 -0.238221D+00  0.284138D-01 -0.102514D+01
               141           142           143           144           145 
      1   0.284138D-01 -0.210705D+01 -0.326940D+00 -0.890419D+00 -0.540304D+01
      2  -0.102514D+01 -0.326940D+00 -0.154018D+01 -0.114608D+01  0.293614D+01
      3  -0.176791D+00 -0.890419D+00 -0.114608D+01 -0.774875D+01 -0.512888D+00
               146           147           148           149           150 
      1   0.293614D+01 -0.512888D+00  0.203078D+01 -0.163382D+01  0.131966D+00
      2  -0.332927D+01  0.654874D-01 -0.163382D+01  0.222749D+01 -0.254405D+00
      3   0.654874D-01 -0.100814D+01  0.131966D+00 -0.254405D+00  0.620037D+00
               151           152           153           154           155 
      1  -0.119527D+01  0.599668D+00 -0.717180D+00 -0.584965D+01 -0.191526D+01
      2   0.599668D+00 -0.933483D+00  0.638621D+00 -0.191526D+01 -0.182508D+01
      3  -0.717180D+00  0.638621D+00 -0.141914D+00  0.299399D-01  0.286507D-01
               156           157           158           159           160 
      1   0.299399D-01 -0.412692D+01 -0.180041D+01 -0.161144D+00  0.788270D+00
      2   0.286507D-01 -0.180041D+01 -0.233741D+01  0.219732D+00  0.172397D+00
      3  -0.938038D+00 -0.161144D+00  0.219732D+00 -0.593464D+00 -0.824027D+00
               161           162           163           164           165 
      1   0.172397D+00 -0.824027D+00 -0.451619D+00  0.577051D+00  0.207781D+00
      2   0.400897D+00 -0.240931D+00  0.577051D+00 -0.110598D+01 -0.590868D-01
      3  -0.240931D+00 -0.786216D-01  0.207781D+00 -0.590868D-01  0.525265D-01
               166           167           168           169           170 
      1   0.186218D+01  0.400893D+00 -0.983455D-01  0.466469D+00 -0.888917D-02
      2   0.400893D+00  0.761496D+01  0.486250D+00 -0.888917D-02  0.122166D+01
      3  -0.983455D-01  0.486250D+00  0.107291D+01  0.168453D+00  0.868012D+00
               171           172           173           174           175 
      1   0.168453D+00  0.823691D+01  0.834615D+00 -0.157715D+01 -0.250116D+00
      2   0.868012D+00  0.834615D+00  0.100490D+01  0.105635D+00  0.251831D+01
      3   0.141279D+00 -0.157715D+01  0.105635D+00  0.196229D+00  0.179320D+00
               176           177           178           179           180 
      1   0.251831D+01  0.179320D+00 -0.261321D+01 -0.196480D+00  0.185323D+01
      2  -0.430647D+01 -0.622722D+00 -0.196480D+00 -0.637110D+00  0.137152D+00
      3  -0.622722D+00 -0.889784D+00  0.185323D+01  0.137152D+00 -0.664454D+00
               181           182           183           184           185 
      1   0.591090D+00 -0.122391D+01 -0.570193D+00 -0.222433D+01  0.221746D+01
      2  -0.122391D+01  0.638306D+00  0.102234D+00  0.221746D+01 -0.920494D+01
      3  -0.570193D+00  0.102234D+00  0.245681D+00  0.110988D+00 -0.762140D+00
               186           187           188           189           190 
      1   0.110988D+00 -0.115342D+01  0.409116D+00  0.473011D+00  0.870107D-01
      2  -0.762140D+00  0.409116D+00 -0.151599D+01 -0.129138D+01  0.291723D+00
      3  -0.104373D+01  0.473011D+00 -0.129138D+01  0.779939D-01  0.122812D+01
               191           192           193           194           195 
      1   0.291723D+00  0.122812D+01  0.817512D+00  0.242242D+00  0.952801D-02
      2   0.307908D-01  0.395475D-01  0.242242D+00 -0.775730D+00  0.998623D+00
      3   0.395475D-01 -0.516181D-01  0.952801D-02  0.998623D+00  0.316142D+00
               196           197           198           199           200 
      1   0.211306D+01 -0.211783D+00  0.103277D+01 -0.466434D+00 -0.216866D+00
      2  -0.211783D+00  0.134573D+01 -0.989484D+00 -0.216866D+00  0.860211D-01
      3   0.103277D+01 -0.989484D+00  0.866370D+01  0.406609D+00 -0.121431D+00
               201           202           203           204           205 
      1   0.406609D+00 -0.305543D+00 -0.237422D+00  0.177195D+00  0.169912D+01
      2  -0.121431D+00 -0.237422D+00 -0.134079D+01  0.834588D+00  0.841597D+00
      3   0.325523D+00  0.177195D+00  0.834588D+00 -0.105684D+01 -0.969061D+00
               206           207           208           209           210 
      1   0.841597D+00 -0.969061D+00  0.128503D+00  0.108942D+01  0.192295D+00
      2   0.251330D+01 -0.232238D+01  0.108942D+01 -0.433094D+00 -0.850425D-01
      3  -0.232238D+01  0.555703D+01  0.192295D+00 -0.850425D-01  0.355524D+00
               211           212           213           214           215 
      1   0.291152D+01 -0.358683D+00 -0.280336D+00  0.382008D+00 -0.138648D+00
      2  -0.358683D+00  0.529441D+01 -0.898337D-01 -0.138648D+00  0.288314D+00
      3  -0.280336D+00 -0.898337D-01  0.925357D+00  0.452536D+00  0.323707D+00
               216 
      1   0.452536D+00
      2   0.323707D+00
      3  -0.253454D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.113265D+01  0.164711D-01 -0.380362D+00 -0.116980D+01  0.201305D+01
      2   0.796332D+00 -0.201898D-01  0.174044D+01  0.482194D+00  0.151445D+01
      3  -0.146532D+01  0.113471D+00 -0.872437D+00  0.608261D+01 -0.154907D+00
                 6             7             8             9            10 
      1   0.473468D-02  0.487668D+00  0.409228D+01 -0.790779D+01 -0.734841D+00
      2   0.126989D+00 -0.290311D+01  0.259496D-01 -0.499634D+01 -0.217927D+01
      3  -0.352668D+00 -0.744708D+00 -0.128567D+01 -0.896374D+00 -0.210120D+01
                11            12            13            14            15 
      1  -0.150420D+01 -0.638153D+00 -0.136221D+00 -0.146124D+01 -0.226113D+01
      2  -0.185694D+00  0.871304D+00  0.547235D+00 -0.139717D+01 -0.144966D+01
      3  -0.584089D+01 -0.805798D-01  0.295400D+00  0.288059D+01  0.219067D+01
                16            17            18            19            20 
      1  -0.918300D+00  0.210746D+01 -0.386881D+00 -0.179274D+01  0.841309D-01
      2  -0.379061D+01 -0.795590D+00  0.114939D+02  0.715225D-01  0.101247D+01
      3  -0.422123D+00  0.164505D+01  0.879304D+00  0.264182D+01 -0.388607D+01
                21            22            23            24            25 
      1   0.456039D+00 -0.758383D+00 -0.121257D+01 -0.125906D+01  0.299998D+00
      2   0.623460D+00  0.556587D+00  0.833134D+00 -0.748929D-01 -0.422010D+01
      3   0.407932D+00  0.256292D+01 -0.396939D+01 -0.129118D+01  0.162030D+01
                26            27            28            29            30 
      1   0.236583D+01  0.523823D+01 -0.136050D+01  0.368077D+00  0.870068D+00
      2   0.392849D+00 -0.420307D+01 -0.202555D+01  0.102280D+01 -0.144866D+01
      3  -0.101189D+01 -0.390611D+00 -0.410725D+01 -0.767965D+01  0.253862D+00
                31            32            33            34            35 
      1  -0.576596D+00  0.668304D-01 -0.869532D+00 -0.671474D+00  0.343098D+01
      2  -0.180844D+00 -0.116655D+01 -0.240763D+01 -0.532284D+01  0.857234D+00
      3  -0.331386D+01  0.567499D+01  0.188377D+01  0.838582D+00  0.919068D+00
                36            37            38            39            40 
      1   0.391298D+01  0.183293D+01 -0.134682D-01 -0.908126D+00  0.387363D+00
      2   0.126763D+02  0.360220D+00  0.108435D+00  0.925554D+01 -0.239330D+00
      3   0.578578D+00 -0.482737D+01 -0.197707D+01 -0.143937D+01  0.168289D+02
                41            42            43            44            45 
      1   0.760336D+00 -0.425475D+01  0.157661D+01  0.183823D+01  0.516073D+00
      2  -0.815959D-01  0.552913D+00 -0.644244D+01 -0.125524D+01  0.986039D+00
      3   0.196345D+01 -0.255736D-01 -0.460011D+01 -0.744583D+00 -0.264465D+00
                46            47            48            49            50 
      1  -0.234266D+00 -0.256203D+00 -0.224852D+00 -0.118910D+01  0.818005D-01
      2   0.121623D+01  0.423293D+00 -0.325785D+01 -0.104623D+00  0.222737D+01
      3   0.658372D+01  0.357754D+01  0.444058D+00  0.662812D+00 -0.312964D+01
                51            52            53            54            55 
      1  -0.971721D+00 -0.110436D+01  0.357357D+01  0.828558D+01 -0.387428D+01
      2   0.238874D+01 -0.412982D+01 -0.108300D+01 -0.129346D+02 -0.316146D+01
      3  -0.179650D+01  0.200232D+01 -0.166385D+01 -0.605473D+00  0.139263D+02
                56            57            58            59            60 
      1   0.143954D+01 -0.126801D+01  0.185572D+01 -0.354234D+01 -0.564333D+01
      2   0.225488D+01  0.117411D+01  0.487536D+00 -0.205646D+01 -0.440767D+00
      3  -0.485484D+01  0.266836D+01  0.377505D+01  0.804765D+01  0.344784D+00
                61            62            63            64            65 
      1  -0.913526D+00  0.735034D+00 -0.301968D+01  0.120423D+01 -0.280984D-01
      2  -0.427517D+01 -0.302031D+00 -0.106133D+01  0.103529D+01 -0.315021D+00
      3   0.566852D+01  0.125155D+01  0.165320D+01  0.510025D+00 -0.143385D+01
                66            67            68            69            70 
      1  -0.433674D+00  0.748986D-01  0.133072D+01 -0.244970D+00 -0.224545D+00
      2   0.662316D+00 -0.207237D+00  0.533231D+00  0.461871D-01 -0.362057D+01
      3  -0.120177D+01  0.507194D+00  0.163460D+00 -0.724511D+00 -0.226971D+01
                71            72            73            74            75 
      1   0.327985D+01  0.914631D+01 -0.754482D+00  0.116460D+00  0.121646D+01
      2  -0.447953D+00  0.515849D+01  0.482520D+01  0.104816D+01  0.433171D+01
      3  -0.109952D+01  0.814089D+00  0.982245D+01 -0.230101D+00 -0.246502D+00
                76            77            78            79            80 
      1  -0.171216D+01 -0.616693D+00 -0.240220D+01  0.143104D+01  0.314475D+01
      2   0.854164D+00  0.278086D+01 -0.329712D+01 -0.768898D+00 -0.180893D+01
      3   0.732913D+01  0.151079D+02 -0.213343D+01 -0.557716D+00 -0.468313D+01
                81            82            83            84            85 
      1   0.459684D+00  0.199086D-02  0.198902D+00 -0.296329D-01  0.440515D+00
      2   0.262304D+01 -0.209272D+01 -0.643935D-01  0.401162D+00  0.943563D-01
      3   0.976416D+00  0.557309D+00 -0.355737D+00  0.121844D+00  0.143501D+01
                86            87            88            89            90 
      1  -0.439824D+00 -0.106372D+01  0.313471D+00  0.380671D+01 -0.123728D+01
      2  -0.189776D+01  0.870084D+00 -0.291441D+01  0.301144D+00 -0.127275D+02
      3  -0.605150D+00  0.160580D+01  0.268374D+00  0.278890D+01 -0.125110D+00
                91            92            93            94            95 
      1  -0.104401D+01  0.211252D+00  0.484689D+00  0.193585D+00 -0.136484D+01
      2   0.118279D+01  0.256712D+00 -0.156442D-01  0.598831D+00  0.375925D+00
      3  -0.300323D+00 -0.874918D+00  0.828231D+00  0.962223D+00  0.309303D+00
                96            97            98            99           100 
      1  -0.289468D+00 -0.317898D+00  0.374811D+01 -0.632381D+01  0.216371D+01
      2  -0.590611D+00 -0.426843D+01  0.240802D+00  0.469398D+01 -0.170550D+01
      3  -0.545428D+00  0.126970D+01 -0.107039D+01 -0.419761D-01  0.866459D+01
               101           102           103           104           105 
      1  -0.169949D+00 -0.185805D+01  0.780700D+00  0.401177D+01 -0.235961D+01
      2  -0.750629D+00  0.480288D+01  0.206323D+00 -0.182658D+01  0.985969D+00
      3  -0.997432D+01 -0.145088D+01 -0.885546D+00  0.123162D+02  0.219034D+01
               106           107           108           109           110 
      1  -0.170986D+01  0.345631D+01  0.165761D+01  0.160330D+01 -0.918202D-01
      2  -0.141156D+01  0.885559D+00 -0.140731D+01  0.335375D+01 -0.292551D+00
      3  -0.381644D+01  0.397133D+01  0.800827D+00  0.295592D+01  0.280919D+01
               111           112           113           114           115 
      1   0.173362D+01 -0.154809D+01  0.704520D+01 -0.120460D+01 -0.137016D+01
      2   0.163097D+01  0.182746D+00  0.326862D+01 -0.166776D+01 -0.509116D+01
      3  -0.140690D+01  0.114651D+02 -0.140834D+02 -0.319211D+01 -0.297576D+01
               116           117           118           119           120 
      1   0.280107D+01 -0.126879D+02 -0.442875D+00  0.558133D-01  0.577700D+00
      2   0.183210D+01 -0.168506D+02 -0.105884D+01 -0.350021D+00  0.131632D+01
      3  -0.372637D+01 -0.131714D+01  0.530919D+00 -0.941665D-01  0.900715D+00
               121           122           123           124           125 
      1  -0.215650D+00 -0.968425D+00 -0.405920D+00  0.394329D+00  0.338823D+01
      2  -0.140692D+00 -0.122046D+01 -0.423125D-01 -0.353691D+01 -0.483521D+00
      3   0.189807D+01 -0.104512D+01  0.144527D+01  0.196231D+01  0.219005D+01
               126           127           128           129           130 
      1  -0.403040D+01  0.108523D+00 -0.291981D+00 -0.196030D+01  0.483744D+00
      2  -0.100895D+02 -0.414666D+00 -0.149515D+01  0.573207D+01  0.369540D+00
      3  -0.277982D+00  0.552985D+01 -0.560596D+01  0.739170D+00  0.542395D+01
               131           132           133           134           135 
      1   0.621081D-01 -0.325762D+01  0.103261D+01  0.474750D+01 -0.126252D+02
      2   0.540636D+00 -0.651592D+00 -0.108937D+01 -0.279840D+01  0.109504D+02
      3  -0.515073D+01 -0.532850D+00  0.142557D+00 -0.103423D+01  0.261535D+01
               136           137           138           139           140 
      1  -0.154430D+01  0.716259D-01 -0.380794D+00  0.613110D+00 -0.117215D+01
      2   0.218474D+01 -0.111551D-01  0.532273D+00  0.189655D+00  0.112099D+01
      3  -0.689128D+00 -0.124514D+01  0.183554D+01  0.509994D+00  0.891985D+00
               141           142           143           144           145 
      1  -0.386980D+00 -0.637370D+00  0.274925D+01 -0.894412D+01  0.302260D+01
      2  -0.341029D-01 -0.323764D+01  0.121939D+01  0.113302D+02  0.292852D+01
      3  -0.143633D+01  0.306760D+01 -0.179531D+01  0.563085D+00 -0.144588D+02
               146           147           148           149           150 
      1  -0.126866D+01  0.322239D+01 -0.976038D+00  0.125901D+01 -0.161418D+01
      2  -0.158255D+01  0.240020D+01 -0.114764D+01  0.964674D+00 -0.118192D+01
      3   0.277122D+01 -0.188760D+01  0.438411D+01 -0.259610D+01  0.133728D+00
               151           152           153           154           155 
      1   0.209834D+01 -0.863392D+00  0.556519D+00  0.121244D+01  0.744540D+00
      2   0.723351D+00 -0.115248D+01  0.529034D+00 -0.226866D+01 -0.115341D+01
      3  -0.372847D+01  0.473845D+00 -0.111741D+01 -0.958175D+01 -0.820330D+01
               156           157           158           159           160 
      1  -0.266088D+00  0.100317D+01  0.779061D+00 -0.332564D+00 -0.211740D+00
      2   0.337123D+01 -0.140662D+01 -0.167135D+01  0.252780D+01  0.164128D+01
      3   0.995302D-01 -0.739941D+01 -0.118386D+02  0.961320D+00  0.842312D+00
               161           162           163           164           165 
      1   0.776740D+00  0.290963D+00 -0.511820D+00  0.508551D+00  0.230779D+00
      2   0.934004D+00  0.631265D-01  0.444826D+00 -0.195704D+00 -0.246028D+00
      3   0.219670D+01 -0.810117D+00 -0.397258D+01  0.409550D+01  0.869175D+00
               166           167           168           169           170 
      1   0.430312D+00 -0.268593D+01 -0.322619D+01 -0.257540D+00 -0.130906D+01
      2  -0.331751D+00  0.785144D+00  0.153562D+01 -0.883862D+00  0.120960D+01
      3   0.578025D+01 -0.163028D+02 -0.160664D+01  0.175499D+01 -0.312601D+01
               171           172           173           174           175 
      1  -0.444673D+00 -0.116479D+01 -0.960207D+00 -0.152846D+01  0.799186D+00
      2   0.852949D-01 -0.432115D+01 -0.991870D+00  0.715799D+01  0.434926D+00
      3  -0.104246D+01 -0.871675D+01 -0.126062D+02  0.182040D+01 -0.730633D+01
               176           177           178           179           180 
      1   0.137505D+01 -0.345556D+01  0.208353D+01  0.392703D+01  0.320954D+00
      2  -0.162624D+01 -0.150546D+01  0.207471D+01  0.249580D+00 -0.378804D+01
      3   0.186433D+02  0.125971D+01  0.197265D+01  0.379401D+01 -0.217315D+01
               181           182           183           184           185 
      1  -0.150581D+01  0.580844D+00  0.700812D+00  0.894317D+00 -0.494976D+01
      2  -0.145516D+01  0.597563D+00  0.134467D+01  0.533881D+00 -0.203996D+01
      3   0.271115D+01 -0.555648D+00  0.680126D+00  0.693891D+00  0.200603D+02
               186           187           188           189           190 
      1  -0.430705D+01  0.942454D+00 -0.170997D+01 -0.483341D+00  0.208540D+01
      2  -0.280105D+01  0.492339D+00 -0.307889D+01  0.126922D+00  0.366325D+01
      3   0.189773D+01  0.162949D+01  0.307100D+01  0.248669D+01 -0.291697D+00
               191           192           193           194           195 
      1  -0.619739D-01  0.269277D-01 -0.156212D+00  0.119321D+01  0.574023D+00
      2  -0.128162D+00 -0.234056D+00 -0.706927D+00  0.267248D+01  0.728057D+00
      3  -0.131009D+01 -0.162672D+01 -0.103710D+01  0.138433D+01 -0.226154D+01
               196           197           198           199           200 
      1   0.928964D+00  0.266524D+01  0.124552D+02  0.927255D+00  0.153652D-01
      2  -0.229103D+01 -0.212936D+01  0.209965D+02 -0.182904D+01 -0.213551D-01
      3  -0.238287D+01 -0.320807D+01  0.172534D+01 -0.261590D+00  0.119112D+00
               201           202           203           204           205 
      1   0.976747D+00  0.461067D+00  0.219699D+01 -0.279460D+01 -0.231752D+01
      2  -0.796990D+00 -0.640342D+00 -0.202684D+01  0.255381D+01  0.646675D-01
      3  -0.106981D+01  0.481689D+00 -0.185165D+01  0.137184D+01 -0.245054D+01
               206           207           208           209           210 
      1  -0.388410D+01  0.145002D+02 -0.330310D+00  0.234992D+00 -0.619748D+00
      2   0.538576D+01 -0.127374D+02  0.336332D+00  0.868118D-01  0.429413D+00
      3   0.346462D+01 -0.308009D+01 -0.408401D+01  0.352538D+01  0.362076D+00
               211           212           213           214           215 
      1   0.133586D+00 -0.301464D+01  0.247165D+00 -0.510934D+00  0.848930D+00
      2  -0.431972D+00 -0.606579D+00  0.382872D+01  0.587622D-02  0.137805D+01
      3   0.405966D+01 -0.262927D+02  0.498818D+00  0.908754D+00 -0.131709D+01
               216 
      1   0.229988D-02
      2  -0.802620D+00
      3  -0.950514D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.106696D+01 -0.706413D+01  0.295115D+00 -0.489135D+01  0.729910D+01
      2   0.402757D+01  0.899397D+01 -0.668823D+00  0.612658D+01 -0.164278D+02
      3  -0.296061D+01 -0.192984D+01  0.373708D+00 -0.123523D+01  0.912866D+01
      4  -0.531932D+01 -0.769957D+00 -0.843806D+00 -0.726813D+01  0.726557D+01
      5   0.130835D+01 -0.816038D+00  0.149125D+00 -0.211294D+01  0.166306D+01
      6   0.168627D+00  0.111651D+01  0.731575D+00  0.203920D+01 -0.571479D+01
                 6             7             8             9            10 
      1   0.229956D+01  0.134441D+01  0.378303D+01  0.730263D+01 -0.143053D+02
      2  -0.170481D+01  0.315883D-01 -0.917362D+01  0.418477D+01  0.599888D+01
      3  -0.594753D+00 -0.137599D+01  0.539059D+01 -0.114874D+02  0.830644D+01
      4   0.209174D+01 -0.225467D+01  0.334615D+01 -0.345409D-01  0.804008D+01
      5   0.369637D+00  0.798527D+00  0.987212D+00 -0.106071D+02 -0.634340D+01
      6  -0.534280D+01 -0.290157D+00 -0.229442D+01  0.199576D+02  0.507751D+00
                11            12            13            14            15 
      1   0.418527D+01 -0.191708D+01  0.948623D+01  0.886450D+01  0.130634D+01
      2  -0.130501D+01  0.325022D+01 -0.607118D+01 -0.507616D+01 -0.170328D+01
      3  -0.288026D+01 -0.133315D+01 -0.341504D+01 -0.378833D+01  0.396937D+00
      4  -0.154197D+01  0.101598D+01  0.615187D+01 -0.649153D+01 -0.227455D+01
      5   0.839861D+00 -0.268906D+01  0.276084D+01 -0.109969D+01 -0.267550D+01
      6  -0.146200D+01  0.174067D+01 -0.104065D+01  0.220702D+00  0.937042D+00
                16            17            18            19            20 
      1  -0.956252D+01  0.136244D+01  0.554118D+01 -0.422779D+01  0.116605D+01
      2   0.312094D+01 -0.131184D+01  0.669875D+01 -0.956736D+00 -0.591719D+01
      3   0.644158D+01 -0.505947D-01 -0.122399D+02  0.518453D+01  0.475114D+01
      4   0.442184D+01 -0.360045D+01 -0.213873D+01 -0.363871D+01 -0.849515D+01
      5  -0.187637D+01 -0.187463D+01  0.290282D+02  0.277775D+01  0.117258D+01
      6   0.261837D+00 -0.824477D-01  0.528026D+00  0.321604D+00  0.115416D+01
                21            22            23            24            25 
      1  -0.284519D+00 -0.614704D+01 -0.401972D+01 -0.172101D+01  0.260479D+01
      2  -0.182589D+01  0.929528D+00  0.280862D+01  0.348018D+00  0.308539D+00
      3   0.211041D+01  0.521751D+01  0.121110D+01  0.137299D+01 -0.291333D+01
      4   0.791157D+00 -0.922241D+01 -0.513776D+00  0.385619D+00  0.346135D+01
      5  -0.269806D+01  0.150825D+01  0.742010D+00 -0.548818D+00  0.369354D-01
      6  -0.110466D+01  0.237007D+00  0.252856D+01 -0.546156D+00  0.267831D-01
                26            27            28            29            30 
      1  -0.258683D+00  0.564825D+01 -0.126808D+02  0.886246D+01 -0.412879D+01
      2   0.197852D+01  0.831662D+01  0.547937D+01 -0.651507D+01  0.102880D+01
      3  -0.171984D+01 -0.139649D+02  0.720140D+01 -0.234739D+01  0.309999D+01
      4   0.351347D+01  0.133134D+01  0.204619D+01 -0.714393D+01  0.268035D+01
      5   0.619584D+00 -0.102826D+02 -0.451892D+01  0.133230D+01 -0.690608D+01
      6   0.195606D+01 -0.121052D+02  0.363534D+01 -0.736945D+00  0.584033D+00
                31            32            33            34            35 
      1   0.577848D+01  0.316854D+01 -0.234695D+01 -0.280271D+01  0.677086D+00
      2  -0.369101D+01 -0.285749D+01 -0.931750D-01 -0.601976D+00  0.106416D+01
      3  -0.208747D+01 -0.311048D+00  0.244012D+01  0.340469D+01 -0.174125D+01
      4  -0.599068D+01 -0.127320D+02 -0.188134D+01  0.254458D+01 -0.197643D+01
      5   0.572749D+00 -0.121921D+01 -0.373590D+01 -0.288308D+01  0.409099D+00
      6  -0.766264D+00  0.151798D+01 -0.131787D+01  0.113306D+01 -0.623053D+00
                36            37            38            39            40 
      1   0.529791D+01  0.151623D+01 -0.231654D+01 -0.885797D+00  0.813996D+00
      2   0.573389D+01  0.590402D+00  0.190813D+01 -0.330359D+00  0.143152D+00
      3  -0.110318D+02 -0.210663D+01  0.408414D+00  0.121616D+01 -0.957148D+00
      4   0.708642D+00 -0.468502D+01  0.142502D+02 -0.179126D+01  0.124309D+02
      5   0.224318D+02  0.133953D+01 -0.106933D+00  0.155929D+02 -0.117157D+01
      6  -0.934519D+01 -0.201900D+01  0.162260D+01  0.174753D+01 -0.308829D+00
                41            42            43            44            45 
      1  -0.139969D+02  0.365554D+01  0.905357D+00  0.258968D+01 -0.651152D+01
      2   0.191234D+02 -0.145403D+01 -0.183528D+01 -0.342335D+01 -0.274227D+00
      3  -0.512654D+01 -0.220151D+01  0.929927D+00  0.833670D+00  0.678574D+01
      4   0.215202D+01 -0.277158D+00 -0.701342D+01 -0.450691D+00 -0.131647D+01
      5  -0.508561D+00  0.160321D+01  0.412710D+01 -0.357960D+00  0.147582D+01
      6  -0.371227D+01  0.511391D+01 -0.940884D+00  0.682564D+01  0.206400D+00
                46            47            48            49            50 
      1  -0.859368D+01  0.393699D+01  0.376748D+01 -0.664745D+01 -0.438888D+01
      2   0.456390D+01 -0.804015D+01 -0.136162D+01 -0.650921D+00 -0.230898D+01
      3   0.402978D+01  0.410317D+01 -0.240587D+01  0.729837D+01  0.669786D+01
      4   0.321431D+01 -0.175631D+02 -0.682249D+00 -0.170458D+02 -0.161144D+01
      5   0.100821D+01 -0.473844D+00 -0.849253D+01  0.139962D+01  0.118583D+01
      6  -0.773224D-02 -0.195688D+01 -0.218206D+01  0.618169D+00  0.198017D+01
                51            52            53            54            55 
      1  -0.134128D+01  0.380906D+01 -0.646569D+00  0.818992D+01 -0.373234D+01
      2  -0.186772D+00  0.854605D+00  0.571218D+01  0.777145D+01 -0.258107D+01
      3   0.152805D+01 -0.466367D+01 -0.506561D+01 -0.159614D+02  0.631341D+01
      4   0.197130D+01  0.319293D+01  0.257379D+01  0.131746D+01  0.196752D+02
      5   0.308755D+01 -0.224707D+01 -0.180396D+00 -0.237740D+02 -0.233261D+01
      6  -0.128794D+01 -0.105189D+00 -0.836899D+00 -0.207200D+02  0.651685D+01
                56            57            58            59            60 
      1   0.410366D+00 -0.240078D+01  0.309766D+01 -0.297103D+02 -0.577643D+01
      2   0.450387D+01  0.719196D+00 -0.212311D+01  0.462183D+02  0.521165D+01
      3  -0.491424D+01  0.168158D+01 -0.974554D+00 -0.165081D+02  0.564779D+00
      4  -0.375204D+01  0.537848D+01  0.364105D+01 -0.135361D+02 -0.378185D+01
      5   0.106793D+01  0.361133D+01  0.138235D+01 -0.289695D+01 -0.133082D+01
      6  -0.170142D+01  0.171857D+01 -0.242006D+01  0.106535D+02  0.106213D+02
                61            62            63            64            65 
      1  -0.194263D+01 -0.849197D+01 -0.864854D+01 -0.130344D+00  0.648674D+00
      2  -0.185883D+01  0.143037D+02  0.453215D+01 -0.314265D+01 -0.763648D+00
      3   0.380146D+01 -0.581173D+01  0.411640D+01  0.327300D+01  0.114974D+00
      4   0.102604D+02 -0.945772D+01 -0.213686D+01  0.949814D+00  0.203027D+01
      5   0.378896D+01 -0.362504D+01 -0.242142D+01  0.136296D+01 -0.972222D+00
      6  -0.332055D+00  0.142624D+02  0.637936D+01 -0.328356D+01 -0.396786D+00
                66            67            68            69            70 
      1   0.162643D+01  0.753184D+00 -0.421310D+01  0.293974D+01  0.180943D+01
      2  -0.674248D+00 -0.911684D+00  0.259874D+01 -0.351330D+01 -0.602839D+00
      3  -0.952186D+00  0.158501D+00  0.161436D+01  0.573565D+00 -0.120659D+01
      4  -0.264482D+01  0.189852D+01 -0.141013D+01  0.150415D+01 -0.331005D+01
      5   0.569277D+01 -0.190080D+00  0.133306D+01 -0.102233D+00  0.374218D+01
      6   0.765066D+00  0.360166D-02 -0.406691D+01  0.610536D+01 -0.317239D+00
                71            72            73            74            75 
      1   0.476479D+01 -0.150401D+02  0.256899D+02 -0.194710D+02  0.501199D+01
      2  -0.437685D+01 -0.113977D+02 -0.139846D+02  0.992229D+01 -0.552217D+01
      3  -0.387934D+00  0.264379D+02 -0.117053D+02  0.954870D+01  0.510180D+00
      4   0.281100D+01 -0.575166D+00 -0.247207D+02  0.512500D+01 -0.780934D+00
      5  -0.120784D+01  0.101204D+02  0.932469D+01 -0.397142D+00  0.780870D+01
      6   0.624576D+01 -0.219186D+02 -0.234734D+01  0.737083D+00 -0.226335D+01
                76            77            78            79            80 
      1  -0.366267D+02 -0.603939D+01 -0.532864D+00  0.164179D+02  0.360286D+00
      2   0.203950D+02  0.767923D+01  0.994450D+00 -0.102948D+02 -0.189288D+00
      3   0.162318D+02 -0.163984D+01 -0.461586D+00 -0.612309D+01 -0.170998D+00
      4   0.566584D+01 -0.190628D+02  0.485777D+01 -0.279357D+01  0.671105D+01
      5  -0.286148D+01  0.522258D+01 -0.510601D+01  0.144785D+02 -0.420429D+01
      6   0.376039D+00 -0.185828D+01  0.504977D+01 -0.248373D+01  0.446867D+01
                81            82            83            84            85 
      1   0.412168D+01  0.256329D+01 -0.915224D+00 -0.461847D+01 -0.794030D+00
      2  -0.736918D+01 -0.430186D+01  0.405214D+00  0.311374D+01  0.377798D+00
      3   0.324750D+01  0.173857D+01  0.510009D+00  0.150473D+01  0.416232D+00
      4  -0.450102D+01 -0.100202D+01  0.902011D+00  0.242886D+00  0.116408D+01
      5   0.568141D+01 -0.513118D+01 -0.259626D+00  0.609195D+01 -0.439144D+00
      6  -0.111499D+01  0.220253D+00 -0.976343D-01  0.180152D+00 -0.103035D+01
                86            87            88            89            90 
      1  -0.367060D+01  0.279250D+00 -0.648510D+01  0.659464D-01 -0.125200D+02
      2   0.269338D+00  0.779350D+00  0.569450D+01  0.604692D+00 -0.147623D+02
      3   0.340127D+01 -0.105860D+01  0.790604D+00 -0.670639D+00  0.272823D+02
      4   0.160681D+01 -0.421294D+01  0.118464D+00 -0.466677D+01  0.996799D+00
      5  -0.447037D+01  0.184397D+01  0.726098D+01  0.132253D+01 -0.295392D+02
      6  -0.105639D-01  0.659995D+01 -0.146627D+00  0.413618D+01  0.132506D+01
                91            92            93            94            95 
      1  -0.301617D+00 -0.348030D+00  0.193493D+01 -0.428655D+00 -0.198066D+01
      2  -0.256420D+01  0.627426D+00 -0.640029D+00  0.540330D+00 -0.112184D+01
      3   0.286582D+01 -0.279395D+00 -0.129491D+01 -0.111675D+00  0.310250D+01
      4  -0.165843D+00  0.220452D+01  0.159674D+01  0.269670D+01 -0.104586D+00
      5   0.187307D+01  0.191552D+00  0.512000D+01 -0.109293D+00  0.146661D+01
      6   0.185785D+01 -0.875662D-01 -0.596663D+00  0.252023D+00  0.166479D+01
                96            97            98            99           100 
      1  -0.805299D+00  0.193723D+01 -0.197369D+01 -0.153830D+02  0.221179D+02
      2   0.226309D+01 -0.152914D+01  0.271825D+01 -0.141557D+02 -0.817871D+01
      3  -0.145779D+01 -0.408093D+00 -0.744559D+00  0.295387D+02 -0.139392D+02
      4   0.169367D+01  0.248188D+01  0.254719D+01  0.339097D+00  0.200641D+02
      5  -0.700977D+00  0.453809D+01  0.366948D+00  0.109740D+02 -0.390528D+01
      6   0.549910D+01  0.567725D+00  0.428127D+01  0.129764D+02 -0.283056D+01
               101           102           103           104           105 
      1  -0.440893D+01 -0.215246D+01 -0.747970D+00  0.143413D+02  0.391020D+01
      2   0.126406D+02  0.306894D+01  0.605142D+01 -0.141177D+02 -0.381745D+01
      3  -0.823169D+01 -0.916481D+00 -0.530345D+01 -0.223610D+00 -0.927463D-01
      4   0.213581D+02 -0.202587D+01  0.170425D+02  0.819175D+00 -0.277037D+01
      5  -0.389528D+00  0.835731D+01 -0.592648D+00 -0.406985D+01  0.133877D+01
      6   0.157624D+00  0.304758D+01 -0.176706D-01 -0.565478D+01  0.492534D+01
               106           107           108           109           110 
      1  -0.486909D+01  0.504997D+01 -0.234576D+00 -0.473484D+01 -0.110727D+02
      2   0.179521D+01 -0.860739D+01 -0.294441D+01  0.489698D+01  0.512205D+01
      3   0.307389D+01  0.355742D+01  0.317899D+01 -0.162134D+00  0.595063D+01
      4  -0.586040D+01 -0.729200D+01  0.451556D+01 -0.139090D+02  0.158443D+01
      5   0.845395D+01  0.284558D+01 -0.228208D+01  0.118724D+02 -0.191742D+01
      6   0.511164D+01  0.573478D+01 -0.315038D+01 -0.651045D+01  0.335763D+01
               111           112           113           114           115 
      1   0.449869D+01 -0.212679D+02  0.107071D+02  0.187674D+01  0.171290D+02
      2  -0.507383D+01  0.164719D+02 -0.273475D+02 -0.577370D+01 -0.701847D+01
      3   0.575138D+00  0.479601D+01  0.166404D+02  0.389696D+01 -0.101106D+02
      4  -0.465231D+01 -0.617059D+01  0.316850D+02  0.587440D+01 -0.245720D+01
      5  -0.678002D+00  0.908621D+00  0.585564D+01 -0.307976D+01 -0.260722D+01
      6  -0.326104D+01  0.809824D+00 -0.340273D+01 -0.183663D+00  0.605717D+00
               116           117           118           119           120 
      1   0.129574D+01  0.123865D+02  0.241610D+01 -0.158967D+01 -0.228268D+01
      2  -0.455481D+01  0.735574D+01 -0.384983D+01  0.875669D+00  0.170616D+01
      3   0.325907D+01 -0.197423D+02  0.143373D+01  0.714001D+00  0.576523D+00
      4   0.748136D+01  0.334206D+01 -0.216400D+01  0.229933D+01  0.117595D+01
      5   0.302044D+01 -0.360038D+02 -0.308680D+01 -0.107216D-01  0.701228D+01
      6  -0.163428D+01  0.158062D+02  0.124345D+01  0.167880D-01 -0.670638D+00
               121           122           123           124           125 
      1  -0.119343D+01 -0.364211D+01 -0.916757D+00 -0.412682D+01 -0.127266D+01
      2   0.383673D+00  0.786757D+00  0.145702D+01  0.525081D+01  0.766382D+00
      3   0.809757D+00  0.285535D+01 -0.540259D+00 -0.112398D+01  0.506281D+00
      4   0.241422D+01  0.537044D+00 -0.197006D+01  0.270141D+01 -0.239643D+01
      5  -0.963013D-01 -0.288443D+01  0.414933D+00  0.639715D+01 -0.114480D+01
      6  -0.476418D+00  0.172823D+01  0.618993D+01 -0.116958D+01  0.469419D+01
               126           127           128           129           130 
      1  -0.148870D+02  0.178481D+02  0.252375D+01  0.474483D+00  0.519503D+01
      2  -0.126146D+02 -0.105864D+01  0.842360D+01  0.572445D+00  0.618575D+01
      3   0.275017D+02 -0.167894D+02 -0.109473D+02 -0.104693D+01 -0.113808D+02
      4  -0.107804D+01  0.241025D+02  0.267770D+02 -0.554372D+00  0.260435D+02
      5  -0.192965D+02 -0.196129D+01 -0.825770D+00  0.823840D+01  0.112822D+00
      6   0.987781D+01 -0.380824D+00 -0.112886D+01  0.433980D+01  0.542742D+00
               131           132           133           134           135 
      1  -0.600692D+01 -0.896208D+00 -0.667848D+00 -0.375036D+01  0.548354D+01
      2   0.259122D+02  0.171713D+01  0.128077D+01  0.347599D+01 -0.272343D+01
      3  -0.199052D+02 -0.820922D+00 -0.612923D+00  0.274373D+00 -0.276011D+01
      4   0.285952D+02  0.129471D+01  0.322348D+01  0.534966D+01 -0.698316D+00
      5   0.108205D+01 -0.226900D+00  0.536288D+01 -0.197667D+01  0.181751D+02
      6   0.103516D+01  0.391390D+01  0.167192D+01  0.178505D+00  0.221247D+02
               136           137           138           139           140 
      1  -0.125868D+00  0.520050D+00  0.331662D+01 -0.331683D+00 -0.291413D+01
      2  -0.263706D+01  0.418058D-01 -0.157163D+01  0.103646D+01  0.890072D+00
      3   0.276293D+01 -0.561856D+00 -0.174499D+01 -0.704776D+00  0.202406D+01
      4   0.926024D+00  0.372365D+01  0.298095D+01  0.369591D+01  0.144620D+01
      5   0.381720D+01  0.713061D+00  0.665270D+01 -0.639821D-01  0.267406D+01
      6   0.342007D+01 -0.943416D-01  0.549551D+00  0.244746D+00  0.370843D+01
               141           142           143           144           145 
      1  -0.207354D+01  0.261666D+01 -0.393441D+01 -0.159685D+02  0.101429D+02
      2   0.315980D+01 -0.305014D+01  0.238590D+01 -0.125488D+02  0.507416D+01
      3  -0.108626D+01  0.433472D+00  0.154852D+01  0.285174D+02 -0.152171D+02
      4   0.232766D+01  0.510009D+01  0.499795D+01  0.264119D+01 -0.301693D+02
      5  -0.216823D+00  0.700772D+01  0.312052D+01  0.213404D+02  0.127038D+00
      6   0.637865D+01  0.254325D+01  0.732641D+01  0.216761D+02 -0.311177D+01
               146           147           148           149           150 
      1   0.174284D+00  0.170557D+01 -0.687926D+00 -0.188331D+01  0.260618D+00
      2  -0.119221D+02  0.299826D+00 -0.612374D+01  0.101200D+02 -0.140757D+01
      3   0.117478D+02 -0.200540D+01  0.681167D+01 -0.823669D+01  0.114695D+01
      4   0.214558D+02 -0.279549D+01  0.140023D+02 -0.118139D+02  0.142264D+01
      5   0.322004D+00  0.290574D+01  0.213303D+00  0.460209D+00 -0.169452D+01
      6   0.675020D+00 -0.500697D+01  0.920814D+00 -0.116899D+01  0.278526D+01
               151           152           153           154           155 
      1   0.165465D+01  0.103728D+01 -0.149967D+00  0.407867D+02  0.140144D+02
      2   0.125816D+01 -0.362561D+01  0.652441D+00 -0.221709D+02 -0.806704D+01
      3  -0.291281D+01  0.258832D+01 -0.502474D+00 -0.186158D+02 -0.594732D+01
      4  -0.653606D+01  0.460852D+01 -0.437449D+01  0.110667D+02  0.109707D+02
      5   0.358646D+01 -0.219462D+01  0.920860D+00  0.488251D+00  0.540335D-01
      6  -0.413761D+01  0.417133D+01 -0.912185D+00  0.101598D+01  0.951738D+00
               156           157           158           159           160 
      1  -0.865009D+00  0.277145D+02  0.116256D+02  0.285376D+00 -0.538549D+01
      2  -0.240681D-01 -0.155969D+02 -0.515691D+01 -0.517570D+00  0.304539D+01
      3   0.889077D+00 -0.121176D+02 -0.646872D+01  0.232194D+00  0.234010D+01
      4  -0.216700D+00  0.122872D+02  0.131904D+02 -0.110121D+01 -0.116357D+01
      5   0.567833D+01  0.111867D+01 -0.120094D+01  0.389030D+01  0.663278D+01
      6  -0.288147D-01  0.117198D+01  0.888945D+00  0.206740D+00  0.546635D+00
               161           162           163           164           165 
      1  -0.142647D+01  0.378892D+01 -0.145813D+01  0.545287D+01  0.769091D+00
      2   0.682893D+00 -0.337526D+01  0.259952D+01 -0.666717D+01 -0.755661D+00
      3   0.743574D+00 -0.413660D+00 -0.114139D+01  0.121431D+01 -0.134300D-01
      4  -0.215697D+01  0.175886D+01 -0.577704D+00  0.149063D+00  0.428514D+00
      5   0.211408D+01  0.277749D+00  0.470526D+00 -0.305886D+00 -0.199030D+00
      6   0.114164D+01 -0.394729D+00  0.102471D+01 -0.475180D+00 -0.755919D-01
               166           167           168           169           170 
      1   0.430228D+01 -0.233954D+02 -0.171881D+01  0.109610D+01 -0.409734D+01
      2  -0.101087D+01  0.389502D+02  0.288262D+01 -0.700316D+00  0.583685D+01
      3  -0.329142D+01 -0.155548D+02 -0.116382D+01 -0.395786D+00 -0.173950D+01
      4   0.621440D+01  0.208828D+02  0.135551D+01  0.116217D+01  0.343407D+01
      5  -0.191397D+00  0.228558D+01  0.292284D+01  0.108676D+01  0.234089D+01
      6  -0.175821D+00  0.308760D+01  0.476633D+01  0.578820D+00  0.595513D+01
               171           172           173           174           175 
      1  -0.336984D+01  0.701030D+02  0.321189D+01 -0.725889D+01  0.149380D+01
      2   0.318178D+01 -0.404559D+02 -0.991756D+00  0.721836D+01 -0.237623D+01
      3   0.188055D+00 -0.296471D+02 -0.222013D+01  0.405226D-01  0.882427D+00
      4   0.217321D+01 -0.327450D+01  0.133376D+02  0.203049D+01  0.193839D+02
      5   0.183464D+00 -0.125587D+02  0.563513D+00  0.128000D+02  0.351189D+00
      6   0.120940D+01  0.320270D+01 -0.150487D+01  0.105600D+01 -0.115979D+01
               176           177           178           179           180 
      1   0.109350D+02  0.182049D+01 -0.182616D+02 -0.603377D+00  0.855448D+01
      2  -0.131959D+01  0.101971D+01  0.113025D+02 -0.187538D+00 -0.116452D+02
      3  -0.961539D+01 -0.284021D+01  0.695912D+01  0.790915D+00  0.309069D+01
      4  -0.256821D+02 -0.417419D+01  0.923123D+00 -0.498006D+01 -0.106349D+01
      5  -0.454052D+01 -0.307886D+01  0.199295D+02  0.945484D+00 -0.762471D+01
      6   0.150948D+01  0.656559D+01 -0.248760D+01  0.360129D+01  0.487049D-02
               181           182           183           184           185 
      1   0.239398D+01 -0.652986D+01 -0.288864D+01 -0.553346D+01 -0.176739D+02
      2   0.359895D+01  0.135427D+01  0.967970D+00 -0.401590D+01  0.421445D+02
      3  -0.599292D+01  0.517559D+01  0.192067D+01  0.954936D+01 -0.244706D+02
      4  -0.881148D+01  0.105015D+02  0.169032D+01  0.180364D+02 -0.468550D+02
      5  -0.270698D+01  0.498920D+00  0.232335D+01  0.392435D+00 -0.322746D+01
      6   0.169307D+01 -0.435112D+00 -0.841553D+00  0.128238D+00  0.172129D+01
               186           187           188           189           190 
      1  -0.148073D+01 -0.477677D+01 -0.242640D+01 -0.338889D+01  0.912850D+00
      2   0.377519D+01  0.114610D+01  0.597149D+01  0.325347D+01 -0.418116D+01
      3  -0.229447D+01  0.363068D+01 -0.354509D+01  0.135420D+00  0.326831D+01
      4  -0.359958D+01  0.432290D+01 -0.773077D+01 -0.662855D+01  0.751889D+00
      5  -0.557238D+01  0.357898D+01 -0.669958D+01  0.554862D+00  0.711553D+01
      6   0.627362D+01 -0.206663D+01  0.761305D+01  0.172030D+01 -0.224610D+01
               191           192           193           194           195 
      1   0.128033D+01  0.783941D+01  0.485246D+01 -0.400616D+01  0.123641D+01
      2  -0.109258D+01 -0.419315D+01 -0.367389D+01  0.293437D+01 -0.275913D+01
      3  -0.187754D+00 -0.364626D+01 -0.117857D+01  0.107179D+01  0.152273D+01
      4   0.136241D+01 -0.222462D+01  0.147321D+01 -0.418384D+01  0.471026D+01
      5  -0.546754D+00  0.579231D+01  0.176990D+00  0.509838D+01  0.170500D+01
      6  -0.492184D+00  0.366129D+00  0.622802D+00 -0.189510D+01  0.450757D+01
               196           197           198           199           200 
      1   0.902668D+01  0.302955D+01 -0.170776D+02  0.140673D+01  0.237910D+01
      2  -0.718773D+01 -0.186978D+01 -0.138645D+02 -0.119736D+01 -0.148792D+01
      3  -0.183894D+01 -0.115977D+01  0.309421D+02 -0.209365D+00 -0.891182D+00
      4  -0.415527D+01  0.618809D+01 -0.540670D+01  0.208167D+01  0.141878D+01
      5   0.102420D+02 -0.531914D+01  0.439914D+02 -0.178408D+01 -0.612097D+00
      6  -0.260200D+01  0.726346D+01 -0.193244D+02 -0.205333D+01  0.859193D+00
               201           202           203           204           205 
      1  -0.318888D+01  0.648309D+00 -0.472823D+01  0.246074D+01 -0.366532D+01
      2   0.147607D+01  0.615763D+00  0.678388D+01 -0.416893D+01  0.100617D+01
      3   0.171281D+01 -0.126407D+01 -0.205564D+01  0.170819D+01  0.265915D+01
      4  -0.195889D+01  0.242385D+01  0.452358D+01 -0.325053D+01 -0.796711D+01
      5   0.430109D+00 -0.888932D+00 -0.300553D+01  0.399956D+01  0.542203D+01
      6  -0.194014D+01 -0.118209D+01 -0.521023D+01  0.676399D+01  0.446937D+01
               206           207           208           209           210 
      1   0.641431D+01 -0.977097D+01  0.636262D+00  0.607717D+01  0.132267D+01
      2  -0.763017D+01  0.220619D+01  0.842764D+00 -0.261308D+01 -0.625506D+00
      3   0.121587D+01  0.756478D+01 -0.147903D+01 -0.346410D+01 -0.697164D+00
      4  -0.101079D+02  0.886327D+01  0.636473D+01 -0.753091D+00 -0.333232D+00
      5   0.906154D+01 -0.217346D+02  0.121162D+01 -0.614521D+00  0.899561D+00
      6   0.131928D+02 -0.264648D+02 -0.375575D-01 -0.785775D-01  0.114482D+01
               211           212           213           214           215 
      1   0.205979D+02 -0.958951D+00 -0.172597D+01  0.234941D+01 -0.553004D+00
      2  -0.118843D+02  0.108923D+01  0.150135D+01 -0.126101D+01  0.444416D+00
      3  -0.871360D+01 -0.130281D+00  0.224620D+00 -0.108840D+01  0.108588D+00
      4  -0.586562D+00  0.321390D+02 -0.427774D+00 -0.403299D+00  0.125394D+01
      5  -0.218008D+01  0.544527D-01  0.689373D+01  0.352440D+01  0.247671D+01
      6   0.378639D+00 -0.104297D+01 -0.103080D+01  0.408191D+00  0.185380D+01
               216 
      1   0.972867D+00
      2  -0.187458D+01
      3   0.901715D+00
      4   0.196490D+01
      5  -0.182130D+01
      6   0.165498D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.131776D+01      0.334940D+01      0.111724D+02
   x         -0.113523D+01     -0.288546D+01     -0.962485D+01
   y          0.398650D+00      0.101327D+01      0.337990D+01
   z          0.537424D+00      0.136600D+01      0.455647D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.928538D+02      0.137595D+02      0.153095D+02
   aniso      0.245424D+02      0.363681D+01      0.404650D+01
   xx         0.105979D+03      0.157044D+02      0.174735D+02
   yx         0.114144D+01      0.169144D+00      0.188198D+00
   yy         0.945386D+02      0.140092D+02      0.155873D+02
   zx        -0.254045D+00     -0.376456D-01     -0.418864D-01
   zy        -0.148329D+01     -0.219801D+00     -0.244561D+00
   zz         0.780443D+02      0.115650D+02      0.128678D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.977692D+02      0.144879D+02      0.161200D+02
   aniso      0.236100D+02      0.349865D+01      0.389277D+01
   xx         0.110382D+03      0.163569D+02      0.181996D+02
   yx         0.845653D+00      0.125313D+00      0.139429D+00
   yy         0.994313D+02      0.147342D+02      0.163940D+02
   zx        -0.232124D+00     -0.343972D-01     -0.382720D-01
   zy        -0.149274D+01     -0.221202D+00     -0.246120D+00
   zz         0.834941D+02      0.123725D+02      0.137663D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.46931091          2.02747399          1.58195940
     6         -1.10579135         -0.40903642          2.94755119
     6          1.40243364          1.49971992         -0.52409182
     6          0.38182666         -0.55958918         -2.27834944
     8         -0.14788523         -2.77139472         -0.82398702
     6         -2.00752676         -2.39563240          1.05196742
     8          0.64666279          3.85330801          3.20653699
     1         -2.20909908          2.79314114          0.75012765
     8         -2.99412884          0.14617922          4.76506721
     1          0.61021455         -1.13229358          3.86791735
     1          3.16961158          0.81670938          0.32022244
     8          1.87591637          3.71579653         -1.97213244
     6          2.25393390         -1.31475292         -4.33387510
     1         -1.35359492          0.12154548         -3.18874467
     8         -2.49853466         -4.70414972          2.23212530
     1         -3.80018472         -1.79511092          0.20201081
     1         -0.50218887          4.15209055          4.58974911
     1         -3.55491245         -1.42930919          5.49312600
     1          2.27338563          5.05958025         -0.80386280
     8          2.50367489          0.56289923         -6.21628078
     1          1.55472097         -3.01685517         -5.25979082
     1          4.07806013         -1.77192234         -3.45511516
     1         -0.89240978         -5.46431830          2.65743091
     1          2.80733791          2.15654477         -5.37469792

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.131776D+01      0.334940D+01      0.111724D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.131776D+01      0.334940D+01      0.111724D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.928538D+02      0.137595D+02      0.153095D+02
   aniso      0.245424D+02      0.363681D+01      0.404650D+01
   xx         0.843748D+02      0.125031D+02      0.139115D+02
   yx         0.472793D+01      0.700607D+00      0.779531D+00
   yy         0.946838D+02      0.140307D+02      0.156112D+02
   zx        -0.108329D+02     -0.160527D+01     -0.178610D+01
   zy        -0.116012D+01     -0.171912D+00     -0.191278D+00
   zz         0.995029D+02      0.147448D+02      0.164058D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.977692D+02      0.144879D+02      0.161200D+02
   aniso      0.236100D+02      0.349865D+01      0.389277D+01
   xx         0.895346D+02      0.132677D+02      0.147623D+02
   yx         0.439231D+01      0.650873D+00      0.724194D+00
   yy         0.995112D+02      0.147460D+02      0.164072D+02
   zx        -0.104483D+02     -0.154828D+01     -0.172269D+01
   zy        -0.924540D+00     -0.137003D+00     -0.152436D+00
   zz         0.104262D+03      0.154500D+02      0.171904D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-19\Freq\RM11\Gen\C6H12O6\PIERPA\12-Aug-2021\0\\#P M11
 /Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=Re
 ad Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,-0.639995,1.210425
 ,-0.19711\C,-1.660478,0.16116,0.197504\C,0.736747,0.79551,0.286144\C,1
 .079369,-0.604203,-0.228054\O,0.067145,-1.517619,0.198419\C,-1.216562,
 -1.213556,-0.304644\O,-0.922508,2.483202,0.369953\H,-0.621099,1.285662
 ,-1.292336\O,-2.907145,0.541846,-0.359981\H,-1.721531,0.11875,1.294206
 \H,0.727111,0.765851,1.383318\O,1.732438,1.706543,-0.165282\C,2.410891
 ,-1.123511,0.302675\H,1.126892,-0.58294,-1.324712\O,-2.103572,-2.21492
 8,0.095778\H,-1.21881,-1.22811,-1.401446\H,-1.811275,2.739925,0.096905
 \H,-3.533704,-0.176051,-0.206287\H,1.430942,2.597378,0.052923\O,3.5154
 63,-0.471377,-0.290315\H,2.491301,-2.182395,0.056578\H,2.421925,-1.030
 336,1.39709\H,-1.970048,-2.365618,1.041455\H,3.363901,0.481596,-0.2253
 78\\Version=ES64L-G16RevA.03\State=1-A\HF=-687.5092322\RMSD=8.976e-09\
 RMSF=1.671e-05\ZeroPoint=0.1969687\Thermal=0.2092765\Dipole=-1.1352258
 ,0.39865,0.5374241\DipoleDeriv=0.1943411,-0.1513093,-0.074724,-0.12835
 92,0.6964717,0.1281566,-0.073601,0.1408925,0.3175172,0.6539041,-0.1600
 404,0.1646511,-0.0659958,0.001985,-0.0218611,0.1585944,-0.1021803,0.32
 10782,0.4741435,0.325376,-0.0562069,0.2252886,0.3876713,-0.1014129,-0.
 0744823,-0.1040817,0.2982415,0.535845,0.1647115,-0.0572741,0.2657868,0
 .4222185,-0.006811,-0.1953856,-0.0039887,0.2819261,-1.352452,-0.207066
 4,-0.0029635,-0.0725059,-0.6141356,0.0562591,-0.0936559,0.0175897,-0.3
 86755,1.2334976,0.2353853,-0.0053885,0.1568342,0.8820923,-0.0704029,0.
 1092671,-0.0545984,0.5007302,-0.4803497,0.1603788,0.1088662,0.1401205,
 -0.9983824,-0.0845399,0.1204959,-0.134945,-0.4382866,0.0202559,0.00427
 19,0.0118713,0.0144976,-0.0294493,-0.0136089,0.0203195,-0.0348875,-0.1
 41462,-0.9950988,0.1235639,-0.1296231,0.1675817,-0.4069271,-0.0365269,
 -0.1631821,-0.0358194,-0.4639263,-0.0256641,0.0044301,-0.0139869,0.011
 1885,0.0073102,0.0269294,-0.0314854,0.0345726,-0.1659375,-0.0143582,-0
 .029064,0.0114173,-0.0202935,-0.0011721,0.0215772,0.0270778,0.0340561,
 -0.1449616,-0.7727972,-0.2333681,0.0033392,-0.3004027,-0.705037,0.0991
 961,0.0283381,0.1239869,-0.4191667,0.641767,0.1151392,-0.1312966,0.213
 7598,0.3520874,-0.0970801,-0.1127566,-0.097337,0.4427005,-0.0094657,-0
 .0063892,-0.0376489,-0.0319058,-0.0075508,0.006497,0.0281858,0.0139351
 ,-0.1424825,-0.7637553,-0.2239212,0.1146899,-0.266635,-0.8870311,0.091
 7543,0.1900642,0.1636124,-0.2783834,-0.0229225,-0.0109202,0.0281152,0.
 00865,-0.0011096,0.0171598,-0.0272919,0.0059791,-0.1388974,0.2135002,0
 .0026119,-0.0488184,-0.0221391,0.3563869,-0.0250443,-0.0555802,-0.0230
 631,0.2655385,0.3325124,-0.0376131,0.001632,-0.0847832,0.2264428,0.041
 7684,0.0059966,0.0557431,0.2762096,0.3008671,0.0884256,0.0412889,0.045
 8616,0.2718615,-0.0183643,0.0496841,-0.0279962,0.2770058,-0.8756441,-0
 .144091,0.0761764,-0.2141191,-0.5014801,0.1278035,0.0811746,0.1137731,
 -0.5102341,0.0160027,0.0172595,0.0047239,0.0143548,-0.1224819,-0.01140
 86,0.0028374,-0.053841,0.0438381,-0.0262542,-0.0164645,0.0398818,-0.01
 1714,0.0283313,-0.0393656,0.0240759,0.0289388,-0.2036621,0.3174555,0.0
 096345,-0.0770008,-0.0099977,0.3393738,-0.0714167,-0.0585377,-0.033266
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 THERE'S A SUCKER BORN EVERY MINUTE

              -- PHINEAS TAYLOR (P.T.) BARNUM
 Job cpu time:       0 days  9 hours  1 minutes 21.6 seconds.
 Elapsed time:       0 days  1 hours  7 minutes 42.3 seconds.
 File lengths (MBytes):  RWF=    419 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:36:33 2021.
